%% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ %% Created for Eric Bittner at 2008-05-22 11:40:58 -0500 %% Saved with string encoding Unicode (UTF-8) @article{jiang:462, Author = {H. X. Jiang and J. Y. Lin}, Date-Added = {2008-05-22 09:19:33 -0500}, Date-Modified = {2008-05-22 09:19:33 -0500}, Doi = {10.1119/1.15131}, Journal = {American Journal of Physics}, Keywords = {BAND STRUCTURE; BAND THEORY CALCULATIONS; POTENTIAL BARRIER; SUPERLATTICES; SOLIDS}, Number = {5}, Pages = {462-465}, Publisher = {AAPT}, Title = {Band structure of a periodic potential with two wells and two barriers per period}, Url = {http://link.aip.org/link/?AJP/55/462/1}, Volume = {55}, Year = {1987}, Bdsk-Url-1 = {http://link.aip.org/link/?AJP/55/462/1}, Bdsk-Url-2 = {http://dx.doi.org/10.1119/1.15131}} @article{walker:408, Author = {James S. Walker and J. 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Lett.}, Month = {Jun}, Number = {24}, Numpages = {3}, Pages = {3172--3175}, Publisher = {American Physical Society}, Title = {Solvation dynamics of the hydrated electron: A nonadiabatic quantum simulation}, Volume = {66}, Year = {1991}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.66.3172}} @article{coker:496, Author = {D. F. Coker and L. Xiao}, Date-Added = {2008-04-14 12:23:30 -0500}, Date-Modified = {2008-04-14 12:23:30 -0500}, Doi = {10.1063/1.469428}, Journal = {The Journal of Chemical Physics}, Keywords = {PERTURBATION THEORY; TIME DEPENDENCE; TRAJECTORIES; DIABATIC APPROXIMATION; COUPLING; VECTORS; ENERGY CONSERVATION; PROPAGATOR; COMPARATIVE EVALUATIONS; SCATTERING; ONEDIMENSIONAL CALCULATIONS; NUMERICAL DATA; MOLECULAR DYNAMICS CALCULATIONS; NUCLEI; EQUATIONS OF MOTION; CLASSICAL MECHANICS; ENERGYLEVEL TRANSITIONS; DEGREES OF FREEDOM; PHASE SPACE; HOPPING; SOLVENTS; CHEMICAL REACTIONS; ELECTRONIC STRUCTURE}, Number = {1}, Pages = {496-510}, Publisher = {AIP}, Title = {Methods for molecular dynamics with nonadiabatic transitions}, Url = {http://link.aip.org/link/?JCP/102/496/1}, Volume = {102}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/102/496/1}, Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.469428}} @article{space:1976, Author = {B. Space and D. F. Coker}, Date-Added = {2008-04-14 12:10:26 -0500}, Date-Modified = {2008-04-14 12:10:26 -0500}, Doi = {10.1063/1.459920}, Journal = {The Journal of Chemical Physics}, Keywords = {RELAXATION; LIQUID HELIUM; LOCALIZED STATES; DYNAMICAL SYSTEMS; SOLVATED ELECTRONS; EXCITED STATES; ABSORPTION SPECTRA; COUPLING; S STATES; P STATES}, Number = {3}, Pages = {1976-1984}, Publisher = {AIP}, Title = {Nonadiabatic dynamics of excited excess electrons in simple fluids}, Url = {http://link.aip.org/link/?JCP/94/1976/1}, Volume = {94}, Year = {1991}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/94/1976/1}, Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.459920}} @book{Schwinger:2001ca, Address = {Berlin}, Author = {Julian Schwinger}, Date-Added = {2008-04-11 11:14:41 -0500}, Date-Modified = {2008-04-11 11:16:57 -0500}, Editor = {Berthold-Georg Englert}, Publisher = {Springer}, Rating = {5}, Read = {Yes}, Series = {Physics and Astonomy}, Title = {Quantum mechanics-Symbolism of Atomic Measurements}, Year = {2001}} @article{PhysRev.181.174, Author = {Pechukas, Philip }, Date-Added = {2008-04-11 09:56:40 -0500}, Date-Modified = {2008-04-11 09:59:11 -0500}, Doi = {10.1103/PhysRev.181.174}, Journal = {Phys. Rev.}, Keywords = {Semiclassical}, Month = {May}, Number = {1}, Numpages = {11}, Pages = {174--185}, Publisher = {American Physical Society}, Title = {Time-Dependent Semiclassical Scattering Theory. II. Atomic Collisions}, Volume = {181}, Year = {1969}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.181.174}} @article{PhysRev.181.166, Author = {Pechukas, Philip }, Date-Added = {2008-04-11 09:56:16 -0500}, Date-Modified = {2008-04-11 09:59:20 -0500}, Doi = {10.1103/PhysRev.181.166}, Journal = {Phys. Rev.}, Keywords = {Semiclassical}, Month = {May}, Number = {1}, Numpages = {8}, Pages = {166--174}, Publisher = {American Physical Society}, Title = {Time-Dependent Semiclassical Scattering Theory. I. Potential Scattering}, Volume = {181}, Year = {1969}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.181.166}} @article{schreiber:134110, Author = {Marko Schreiber and Mario R. Silva-Junior and Stephan P. A. Sauer and Walter Thiel}, Date-Added = {2008-04-09 16:24:47 -0500}, Date-Modified = {2008-04-09 16:24:47 -0500}, Doi = {10.1063/1.2889385}, Eid = {134110}, Journal = {The Journal of Chemical Physics}, Keywords = {coupled cluster calculations; molecular configurations; organic compounds; perturbation theory; triplet state}, Number = {13}, Numpages = {25}, Pages = {134110}, Publisher = {AIP}, Title = {Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3}, Url = {http://link.aip.org/link/?JCP/128/134110/1}, Volume = {128}, Year = {2008}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/128/134110/1}, Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2889385}} @article{loferski:777, Author = {Joseph J. Loferski}, Date-Added = {2008-04-09 15:52:42 -0500}, Date-Modified = {2008-04-09 15:52:42 -0500}, Doi = {10.1063/1.1722483}, Journal = {Journal of Applied Physics}, Number = {7}, Pages = {777-784}, Publisher = {AIP}, Title = {Theoretical Considerations Governing the Choice of the Optimum Semiconductor for Photovoltaic Solar Energy Conversion}, Url = {http://link.aip.org/link/?JAP/27/777/1}, Volume = {27}, Year = {1956}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/27/777/1}, Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1722483}} @article{Kjellberg:2006wc, Author = {Kjellberg, P. and Br{\"u}ggemann, B. and Pullerits, T.}, Date-Added = {2008-04-08 12:38:04 -0500}, Date-Modified = {2008-04-08 12:39:00 -0500}, Journal = {Phys. Rev. B}, Title = {Two-dimensional electronic spectroscopy of an excitonically coupled dimer}, Volume = {74}, Year = {2006}} @article{Zhang:2006ts, Author = {Zhang, F.L. and Jespersen, K.G. and Bjorstrom, C. and Svensson, M. and Andersson, M.R. and Sundstr{\"o}m, V. and Magnusson, K. and Moons, E. and Yartsev, A. andInganas, O}, Date-Added = {2008-04-08 12:35:20 -0500}, Date-Modified = {2008-04-08 12:38:03 -0500}, Journal = {Advanced Functional Materials}, Pages = {667}, Title = {Influence of solvent mixing on the morphology and performance of solar cells based on polyfluorene copolymer/fullerene blends}, Volume = {16}, Year = {2006}} @article{Kjellberg:2006oe, Author = {Kjellberg, P. and Pullerits, T.}, Date-Added = {2008-04-08 12:32:13 -0500}, Date-Modified = {2008-04-08 12:33:58 -0500}, Journal = {J. Chem. Phys.}, Title = {Three-pulse photon echo of an excitonic dimer modeled via Redfield theory}, Volume = {124}, Year = {2006}} @article{ChoM._cr078377b, Abstract = {no abstract}, Affiliation = {Department of Chemistry and Center for Multidimensional Spectroscopy, Korea University, Seoul 136-701, Korea, and Multidimensional Spectroscopy Laboratory, Korea Basic Science Institute, Seoul 136-713, Korea}, Author = {Cho, M.}, Date-Added = {2008-04-08 12:09:22 -0500}, Date-Modified = {2008-04-08 12:09:22 -0500}, Issn = {0009-2665}, Journal = {Chemical Reviews}, Title = {Coherent Two-Dimensional Optical Spectroscopy}, Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/cr078377b}, Year = {2008}, Bdsk-Url-1 = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/cr078377b}} @article{yang:045203, Author = {Xiujuan Yang and Tieneke E. Dykstra and Gregory D. Scholes}, Date-Added = {2008-04-08 12:02:35 -0500}, Date-Modified = {2008-04-08 12:02:35 -0500}, Doi = {10.1103/PhysRevB.71.045203}, Eid = {045203}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {optical polymers; photon echo; localised states; excited states; spectral line broadening; molecular configurations; fluorescence; vibrational states; visible spectra}, Number = {4}, Numpages = {15}, Pages = {045203}, Publisher = {APS}, Title = {Photon-echo studies of collective absorption and dynamic localization of excitation in conjugated polymers and oligomers}, Url = {http://link.aps.org/abstract/PRB/v71/e045203}, Volume = {71}, Year = {2005}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v71/e045203}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.71.045203}} @article{Fleming:1998fu, Author = {Graham R. Fleming}, Date-Added = {2008-04-08 11:53:53 -0500}, Date-Modified = {2008-04-08 11:54:42 -0500}, Journal = {Proc Natl Acad Sci U S A}, Number = {26}, Pages = {15161}, Title = {Protein Dynamics and Photon Echoes. }, Volume = {95}, Year = {1998}} @article{Barriol:1950dq, Author = {J. Barriol and J. J. Metzger}, Date-Added = {2008-03-13 09:21:42 -0500}, Date-Modified = {2008-03-13 09:22:43 -0500}, Journal = {J. Chem. Phys.}, Pages = {433}, Volume = {47}, Year = {1950}} @book{Kutzelnigg:1978zl, Author = {W. Kutzelnigg}, Date-Added = {2008-03-13 09:06:19 -0500}, Date-Modified = {2008-03-13 09:08:09 -0500}, Publisher = {Wiley-VCH}, Title = {Einf{\"u}hrung in die Theoretische Cheme, vol 2: Die Chemische Bindung}, Year = {1978}} @book{Coulson:1965rm, Address = {New York}, Author = {C. A. Coulson and A. Streitwieser}, Date-Added = {2008-03-13 09:04:40 -0500}, Date-Modified = {2008-03-13 09:05:42 -0500}, Publisher = {Pergammon}, Title = {Dictionary of $\pi$ electron calculations}, Year = {1965}} @article{Lennard-Jones:1937rz, Author = {J. E. Lennard-Jones}, Date-Added = {2008-03-13 09:03:26 -0500}, Date-Modified = {2008-03-13 09:04:12 -0500}, Journal = {Proc. R. Soc. Lond.}, Pages = {280}, Volume = {158}, Year = {1937}} @article{Kutzelnigg:2006, Author = {Werner Kutzelnigg}, Date-Added = {2008-03-12 10:16:24 -0500}, Date-Modified = {2008-03-12 10:18:31 -0500}, Journal = {Journal of Computational Chemistry}, Pages = {25-34}, Read = {Yes}, Title = {Essay: What I like about H{\"u}ckel theory}, Volume = {28}, Year = {2006}, Bdsk-File-1 = {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}} @article{Redfield:1966, Author = {A. G. Redfield}, Date-Added = {2008-03-04 16:03:33 -0600}, Date-Modified = {2008-03-04 16:03:33 -0600}, Journal = {Adv. Mag. Res.}, Pages = {1}, Read = {Yes}, Title = {The theory of relaxation processes}, Volume = {1}, Year = {1966}} @article{Grover:1996, Abstract = {Imagine a phone directory containing N names arranged in completely random order. In order to find someone's phone number with a 50% probability, any classical algorithm (whether deterministic or probabilistic) will need to look at a minimum of N/2 names. Quantum mechanical systems can be in a superposition of states and simultaneously examine multiple names. By properly adjusting the phases of various operations, successful computations reinforce each other while others interfere randomly. As a result, the desired phone number can be obtained in only O(sqrt(N)) steps. The algorithm is within a small constant factor of the fastest possible quantum mechanical algorithm.}, Author = {L. K. Grover}, Date-Added = {2008-01-23 16:58:07 -0600}, Date-Modified = {2008-01-23 16:59:31 -0600}, Journal = {roceedings, 28th Annual ACM Symposium on the Theory of Computing (STOC), May 1996}, Pages = {212}, Title = {A fast quantum mechanical algorithm for database search}, Year = {1996}, Bdsk-Url-1 = {http://arxiv.org/abs/quant-ph/9605043}, Bdsk-Url-2 = {http://arxiv.org/abs/quant-ph/9605043}} @article{McDermott:1995, Abstract = {The crystal structure of the light-harvesting antenna complex (LH2) from Rhodopseudomonas acidophila strain 10050 shows that the active assembly consists of two concentric cylinders of helical protein subunits which enclose the pigment mols. Eighteen bacteriochlorophyll a mols. sandwiched between the helixes form a continuous overlapping ring, and a further nine are positioned between the outer helixes with the bacteriochlorin rings perpendicular to the transmembrane helix axis. There is an elegant intertwining of the bacteriochlorophyll phytol chains with carotenoid, which spans the complex.}, Author = {McDermott, G. and Prince, S. M. and Freer, A. A. and Hawthornthwaite-Lawless, A. M. and Papiz, M. Z. and Cogdell, R. J. and Isaacs, N. W}, Date-Added = {2008-01-23 16:01:28 -0600}, Date-Modified = {2008-01-23 16:03:06 -0600}, Journal = {Nature}, Pages = {6522}, Title = {Crystal structure of an integral membrane light-harvesting complex from photosynthetic bacteria}, Volume = {374}, Year = {1995}} @article{Koepke:1996, Abstract = {BACKGROUND: The light-harvesting complexes II (LH-2s) are integral membrane proteins that form ring-like structures, oligomers of alpha beta-heterodimers, in the photosynthetic membranes of purple bacteria. They contain a large number of chromophores organized optimally for light absorption and rapid light energy migration. Recently, the structure of the nonameric LH-2 of Rhodopseudomonas acidophila has been determined; we report here the crystal structure of the octameric LH-2 from Rhodospirillum molischianum. The unveiling of similarities and differences in the architecture of these proteins may provide valuable insight into the efficient energy transfer mechanisms of bacterial photosynthesis. RESULTS: The crystal structure of LH-2 from Rs. molischianum has been determined by molecular replacement at 2.4 A resolution using X-ray diffraction. The crystal structure displays two concentric cylinders of sixteen membrane-spanning helical subunits, containing two rings of bacteriochlorophyll-a (BChl-a) molecules. One ring comprises sixteen B850 BChl-as perpendicular to the membrane plane and the other eight B800 BChl-as that are nearly parallel to the membrane plane; eight membrane-spanning lycopenes (the major carotenoid in this complex) stretch out between the B800 and B850 BChl-as. The B800 BChl-as exhibit a different ligation from that of Rps. acidophila (aspartate is the Mg ligand as opposed to formyl-methionine in Rps. acidophila). CONCLUSIONS: The light-harvesting complexes from different bacteria assume various ring sizes. In LH-2 of Rs. molischianum, the Qy transition dipole moments of neighbouring B850 and B800 BChl-as are nearly parallel to each other, that is, they are optimally aligned for F{\"o}ster exciton transfer. Dexter energy transfer between these chlorophylls is also possible through interactions mediated by lycopenes and B850 BChl-a phytyl tails; the B800 BChl-a and one of the two B850 BChl-as associated with each heterodimeric unit are in van der Waals distance to a lycopene, such that singlet and triplet energy transfer between lycopene and the BChl-as can occur by the Dexter mechanism. The ring structure of the B850 BChl-as is optimal for light energy transfer in that it samples all spatial absorption and emission characteristics and places all oscillator strength into energetically low lying, thermally accessible exciton states.}, Author = {J. Koepke and X. Hu and C. Muenke and K. Schulten and H. Michel}, Date-Added = {2008-01-23 16:01:04 -0600}, Date-Modified = {2008-01-23 16:06:36 -0600}, Journal = {Structure}, Number = {5}, Pages = {581}, Title = {The crystal structure of the light-harvesting complex II (B800-850) from Rhodospirillum molischianum.}, Volume = {4}, Year = {1996}} @article{Sundstromjp983722, Abstract = {Abstract: Great progress in the study of structure and dynamics of photosynthetic light-harvesting pigment-protein complexes has recently resulted in detailed understanding of the light-harvesting and light-conversion processes of photosynthesis. We review and discuss recent results on the elementary excitation transfer dynamics of the purple bacterial LH2 peripheral complex. When combining the information from the two LH2 structures that are now available with the experimental results obtained from steady-state spectroscopy, a variety of ultrafast techniques and computer simulations, a detailed understanding of the LH2 function is obtained. Dynamics relevant to the complete photosynthetic unit (PSU = LH2 + LH1 core + reaction center), as well as models of the PSU obtained on the basis of the LH2 structure, allow us to suggest how the characteristic structural features of LH2 and LH1 have been designed to optimize the overall light-harvesting and trapping process in the PSU.}, Affiliation = {Department of Physics and Astronomy, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam, The Netherlands}, Author = {Sundstrom, V. and Pullerits, T. and van Grondelle, R.}, Date-Added = {2008-01-23 15:49:52 -0600}, Date-Modified = {2008-01-23 15:49:52 -0600}, Issn = {1520-6106}, Journal = {Journal of Physical Chemistry B}, Number = {13}, Pages = {2327-2346}, Title = {Photosynthetic Light-Harvesting: Reconciling Dynamics and Structure of Purple Bacterial LH2 Reveals Function of Photosynthetic Unit}, Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp983722+}, Volume = {103}, Year = {1999}, Bdsk-Url-1 = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp983722+}} @article{Jordan:2001, Author = {P. Jordan and P. Fromme and H. T. Witt and O. Klukas and W. Saenger and N. Krauss}, Date-Added = {2008-01-23 11:35:56 -0600}, Date-Modified = {2008-05-16 16:44:53 -0500}, Journal = {Nature}, Number = {909-917}, Title = {Three-dimensional structure of cyanobacterial photosystem I at 2.5\AA resolution}, Volume = {411}, Year = {2001}, Bdsk-Url-1 = {http://www.ncbi.nlm.nih.gov/pubmed/11418848?dopt=Abstract}, Bdsk-Url-2 = {http://www.ncbi.nlm.nih.gov/pubmed/11418848?dopt=Abstract}} @article{MartinByrdin07012002, Abstract = {The structure of photosystem I from the thermophilic cyanobacterium Synechococcus elongatus has been recently resolved by x-ray crystallography to 2.5-A resolution. Besides the reaction center, photosystem I consists also of a core antenna containing 90 chlorophyll and 22 carotenoid molecules. It is their function to harvest solar energy and to transfer this energy to the reaction center (RC) where the excitation energy is converted into a charge separated state. Methods of steady-state optical spectroscopy such as absorption, linear, and circular dichroism have been applied to obtain information on the spectral properties of the complex, whereas transient absorption and fluorescence studies reported in the literature provide information on the dynamics of the excitation energy transfer. On the basis of the structure, the spectral properties and the energy transfer kinetics are simultaneously modeled by application of excitonic coupling theory to reveal relationships between structure and function. A spectral assignment of the 96 chlorophylls is suggested that allows us to reproduce both optical spectra and transfer and emission spectra and lifetimes of the photosystem I complex from S. elongatus. The model calculation allowed to study the influence of the following parameters on the excited state dynamics: the orientation factor, the heterogeneous site energies, the modifications arising from excitonic coupling (redistribution of oscillator strength, energetic splitting, reorientation of transition dipoles), and presence or absence of the linker cluster chlorophylls between antenna and reaction center. For the Forster radius and the intrinsic primary charge separation rate, the following values have been obtained: R0 = 7.8 nm and kCS = 0.9 ps[-]1. Variations of these parameters indicate that the excited state dynamics is neither pure trap limited, nor pure transfer (to-the-trap) limited but seems to be rather balanced. }, Author = {Byrdin, Martin and Jordan, Patrick and Krauss, Norbert and Fromme, Petra and Stehlik, Dietmar and Schlodder, Eberhard}, Date-Added = {2008-01-23 11:26:44 -0600}, Date-Modified = {2008-01-23 11:27:12 -0600}, Eprint = {http://www.biophysj.org/cgi/reprint/83/1/433.pdf}, Journal = {Biophys. J.}, Number = {1}, Pages = {433-457}, Title = {Light Harvesting in Photosystem I: Modeling Based on the 2.5-A Structure of Photosystem I from Synechococcus elongatus}, Url = {http://www.biophysj.org/cgi/content/abstract/83/1/433}, Volume = {83}, Year = {2002}, Bdsk-Url-1 = {http://www.biophysj.org/cgi/content/abstract/83/1/433}} @article{PhysRevB.25.5540, Author = {Lin-Liu, Y. R.}, Date-Added = {2008-01-17 15:26:24 -0600}, Date-Modified = {2008-01-17 15:26:25 -0600}, Doi = {10.1103/PhysRevB.25.5540}, Journal = {Phys. Rev. B}, Keywords = {QUANTUM MECHANICS; VARIATIONAL METHODS; EIGENVALUES; HAMILTONIAN FUNCTION}, Month = {Apr}, Number = {8}, Numpages = {2}, Pages = {5540--5542}, Publisher = {American Physical Society}, Title = {Continuum model for solitons in polyacetylene: $f$-sum rule of optical absorption spectra}, Url = {http://link.aip.org/link/?JCP/82/1400/1}, Volume = {25}, Year = {1982}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.25.5540}, Bdsk-Url-2 = {http://link.aip.org/link/?JCP/82/1400/1}, Bdsk-Url-3 = {http://dx.doi.org/10.1103/PhysRevB.25.5540}} @article{chiang:1098, Author = {C. K. Chiang and C. R. Fincher and Jr. and Y. W. Park and A. J. Heeger and H. Shirakawa and E. J. Louis and S. C. Gau and Alan G. MacDiarmid}, Date-Added = {2007-12-31 09:27:54 -0600}, Date-Modified = {2007-12-31 09:27:54 -0600}, Journal = {Physical Review Letters}, Number = {17}, Pages = {1098-1101}, Publisher = {APS}, Title = {Electrical conductivity in doped polyacetylene}, Url = {http://link.aps.org/abstract/PRL/v39/p1098}, Volume = {39}, Year = {1977}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v39/p1098}} @article{Charmm, Author = {A. D. MacKerell, Jr. and D. Bashford and M. Bellott and R. L. Dunbrack, Jr. and J. D. Evanseck and M. J. Field and S. Fischer and J. Gao and H. Guo and S. Ha and D. Joseph-McCarthy and L. Kuchnir and K. Kuczera and F. T. K. Lau and C. Mattos and S. Michnick and T. Ngo and D. T. Nguyen and B. Prodhom and W. E. Reiher, III and B. Roux and M. Schlenkrich and J. C. Smith and R. Stote and J. Straub and M. Watanabe and J. Wiorkiewicz-Kuczera and D. Yin and M. Karplus}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Journal of Physical Chemistry B}, Pages = {3586-3616}, Title = {All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins}, Volume = {102}, Year = {1998}} @article{vie04:11000, Author = {A. Viel, R. P. Krawczyk, U. Manthe and W. Domcke}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = jcp, Pages = {11000-11010}, Title = {Photoinduced dynamics of ethene in the {N}, {V} and {Z} valence states: {A} six-dimensional nonadiabatic quantum dynamics investigation}, Volume = {120}, Year = {2004}} @article{Abrashkevich98, Author = {A. Abrashkevich and M. Shapiro and P. Brumer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Quantum Control - ChemPhys}, Pages = {3789}, Volume = {81}, Year = {1998}} @article{Abo-Riziq2004si, Author = {A. Abrashkevicho-Riziq and L. Grace and E. Nir and M. Kabelac and P. Hobza and M. S. {de Vries}}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Proc Natl Acad Sci U S A}, Number = {1}, Pages = {20-23}, Rating = {4}, Read = {Yes}, Title = {Photochemical selectivity in Guanine-cytosine base-pair structures}, Url = {www.pnas.org/cgi/doi/10.1073/pnas.0408574102}, Volume = {102}, Year = {2004}, Bdsk-Url-1 = {www.pnas.org/cgi/doi/10.1073/pnas.0408574102}} @article{alam:4647, Author = {Maksudul M. Alam and Samson A. Jenekhe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Chemistry of Materials}, Number = {23}, Numpages = {10}, Pages = {4647-4656}, Publisher = {ACS}, Title = {Efficient Solar Cells from Layered Nanostructures of Donor and Acceptor Conjugated Polymers}, Volume = {16}, Year = {2004}} @article{aleksandrova:508, Author = {E. L. Aleksandrova}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Journal of Optical Technology}, Keywords = {optical polymers; photorefractive materials; electrophotography; photoexcitation; refractive index; polarisability; fullerenes; fullerene compounds}, Number = {7}, Pages = {508-511}, Publisher = {OSA}, Title = {Using electrophotographic methods to evaluate the photorefractive properties of polymers containing donor--acceptor groups}, Url = {http://www.opticsinfobase.org/abstract.cfm?URI=JOT-68-7-508}, Volume = {68}, Year = {2001}, Bdsk-Url-1 = {http://www.opticsinfobase.org/abstract.cfm?URI=JOT-68-7-508}} @article{Alexandre:2003, Author = {S. S. Alexandre and E. Artacho and J. M. Soler and H. Chacham}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Physical Review Letters}, Number = {10}, Pages = {108105}, Title = {Small polarons in dry DNA}, Volume = {91}, Year = {2003}, Bdsk-File-1 = {YnBsaXN0MDDUAQIDBAUGCQpYJHZlcnNpb25UJHRvcFkkYXJjaGl2ZXJYJG9iamVjdHMSAAGGoNEHCFRyb290gAFfEA9OU0tleWVkQXJjaGl2ZXKoCwwXGBkdJCVVJG51bGzTDQ4PEBEUViRjbGFzc1dOUy5rZXlzWk5TLm9iamVjdHOAB6ISE4ACgAOiFRaABIAGWWFsaWFzRGF0YVxyZWxhdGl2ZVBhdGjSDRobHFdOUy5kYXRhgAVPEQGmAAAAAAGmAAIAAAxNYWNpbnRvc2ggSEQAAAAAAAAAAAAAAAAAAADDkqRLSCsAAAAN4J4RQWxleGFuZHJlMjAwMy5wZGYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA3hUL6VXZcAAAAAAAAAAAABAAIAAAkgAAAAAAAAAAAAAAAAAAAAClBERi1QYXBlcnMAEAAIAADDkvirAAAAEQAIAAC+laPnAAAAAQAQAA3gngAKo9sACqPEAAB6jgACAEJNYWNpbnRvc2ggSEQ6VXNlcnM6ZWJpdHRuZXI6RG9jdW1lbnRzOlBERi1QYXBlcnM6QWxleGFuZHJlMjAwMy5wZGYADgAkABEAQQBsAGUAeABhAG4AZAByAGUAMgAwADAAMwAuAHAAZABmAA8AGgAMAE0AYQBjAGkAbgB0AG8AcwBoACAASABEABIANVVzZXJzL2ViaXR0bmVyL0RvY3VtZW50cy9QREYtUGFwZXJzL0FsZXhhbmRyZTIwMDMucGRmAAATAAEvAAAVAAIAD///AADSHh8gIVgkY2xhc3Nlc1okY2xhc3NuYW1loyEiI11OU011dGFibGVEYXRhVk5TRGF0YVhOU09iamVjdF8QHy4uL1BERi1QYXBlcnMvQWxleGFuZHJlMjAwMy5wZGbSHh8mJ6InI1xOU0RpY3Rpb25hcnkACAARABoAHwApADIANwA6AD8AQQBTAFwAYgBpAHAAeACDAIUAiACKAIwAjwCRAJMAnQCqAK8AtwC5AmMCaAJxAnwCgAKOApUCngLAAsUCyAAAAAAAAAIBAAAAAAAAACgAAAAAAAAAAAAAAAAAAALV}} @book{Allen87, Author = {L. Allen and J. H. Eberly}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Keywords = {Unknown - Uncatagorized}, Publisher = {Dover Publications}, Title = {Optical Resonance and Two-Level Atoms}, Year = {1987}} @article{allinger:868, Author = {Norman L. Allinger and Fanbing Li and Liqun Yan and Julia C. Tai}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:14 -0600}, Journal = {Journal of Computational Chemistry}, Number = {7}, Pages = {868-895}, Publisher = {John Wiley \& Sons, Inc.}, Title = {Molecular mechanics (MM3) calculations on conjugated hydrocarbons}, Url = {http://dx.doi.org/10.1002/jcc.540110709}, Volume = {11}, Year = {1990}, Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.540110709}} @phdthesis{Allori01, Author = {V. Allori}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Keywords = {Bohmian}, Month = {December}, School = {Universit{\'a} degli Studi di Genova}, Title = {Decoherence and the Classical Limit of Quantum Mechanics}, Year = {2001}} @article{alvarado:1082, Author = {S. F. Alvarado and P. F. Seidler and D. G. Lidzey and D. D. C. Bradley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {Physical Review Letters}, Keywords = {excitons; binding energy; scanning tunnelling microscopy; polymer films; gold; light absorption; light emitting diodes}, Number = {5}, Pages = {1082-1085}, Publisher = {APS}, Title = {Direct Determination of the Exciton Binding Energy of Conjugated Polymers Using a Scanning Tunneling Microscope}, Url = {http://link.aps.org/abstract/PRL/v81/p1082}, Volume = {81}, Year = {1998}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v81/p1082}} @article{Anchell90, Author = {J. L. Anchell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Phase Space - Semiclassical}, Month = {April}, Pages = {4342}, Title = {Quantum and classical descriptions of position and phase-space densities of a model Hamiltonian}, Volume = {92}, Year = {1990}} @article{Rattle, Author = {Hans C. Andersen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {Journal Computational Physics}, Pages = {24-34}, Title = {Rattle: A Velocity Version of the Shake Algorithm for Molecular Dynamics Calculations}, Volume = {52}, Year = {1983}} @article{Andrade:2005, Author = {P. C. P. de Andrade}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Pages = {124173}, Title = {Probability current in proton electron transfer reactions: a green function pathway model}, Volume = {112}, Year = {2005}, Bdsk-File-1 = {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}} @article{andrzejak:1328, Author = {Marcin Andrzejak and Piotr Petelenz and Michal Slawik and R. W. Munn}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {organic compounds; electroabsorption; charge transfer states; crystal symmetry}, Number = {3}, Pages = {1328-1335}, Publisher = {AIP}, Title = {Theoretical calculation of the electro-absorption spectrum of the alpha-sexithiophene single crystal}, Url = {http://link.aip.org/link/?JCP/117/1328/1}, Volume = {117}, Year = {2002}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/1328/1}} @article{Antonsen97, Author = {F. Antonsen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {Phys. Rev. D}, Keywords = {QTM - Phase Space - Semiclassical}, Month = {July}, Pages = {920}, Title = {Quantum theory in curved spacetime using the Wigner function}, Volume = {56}, Year = {1997}} @article{apalkov:033102, Author = {V. M. Apalkov and Tapash Chakraborty}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Eid = {033102}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Number = {3}, Numpages = {4}, Pages = {033102}, Publisher = {APS}, Title = {Electron dynamics in a DNA molecule}, Url = {http://link.aps.org/abstract/PRB/v71/e033102}, Volume = {71}, Year = {2005}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v71/e033102}} @article{Appleby, Author = {D. M. Appleby}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Journal = {lanl-preprint quant-ph/9908029}, Keywords = {Bohmian Dynamics}} @article{archilla:016609, Author = {J. F. R. Archilla and P. L. Christiansen and Yu. B. Gaididei}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:15 -0600}, Eid = {016609}, Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)}, Keywords = {solitons; DNA; molecular biophysics}, Number = {1}, Numpages = {6}, Pages = {016609}, Publisher = {APS}, Title = {Interplay of nonlinearity and geometry in a DNA-related, Klein-Gordon model with long-range dipole-dipole interaction}, Url = {http://link.aps.org/abstract/PRE/v65/e016609}, Volume = {65}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRE/v65/e016609}} @book{Arnold89, Author = {V. I. Arnold}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Keywords = {Mathematics - Mathematics}, Publisher = {Springer}, Title = {Mathematical Methods of Classical Mechanics}, Year = {1989}} @conference{avanessian:42, Author = {Lia A. Avanessian and Vladimir A. Hovanessian}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Editor = {Richard B. Thompson}, Journal = {Advances in Fluorescence Sensing Technology III}, Location = {San Jose, CA, USA}, Number = {1}, Pages = {42-46}, Publisher = {SPIE}, Title = {Two-photon fluorescence of DNA-dye complexes}, Url = {http://link.aip.org/link/?PSI/2980/42/1}, Volume = {2980}, Year = {1997}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/2980/42/1}} @article{pou05:184313, Author = {B.Pouilly and M. Monnerville and F. Gatti and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Journal = jcp, Pages = {184313}, Title = {Wave packet study of the {UV} photodissociation of the {A}r$_2${HB}r complex.}, Volume = {122}, Year = {2005}} @article{babsail:259, Author = {Laila S. Babsail and S. Roy Morrison}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Journal = {Journal of Applied Physics}, Keywords = {SILICON SOLAR CELLS; DAMAGE; HYDROGENATION; FABRICATION; PERFORMANCE; PLASMA; EFFICIENCY; DISLOCATIONS; GRAIN BOUNDARIES; PASSIVATION}, Number = {1}, Pages = {259-265}, Publisher = {AIP}, Title = {The effect of hydrogen treatment on damaged and undamaged metal-insulator-semiconductor solar cells}, Url = {http://link.aip.org/link/?JAP/70/259/1}, Volume = {70}, Year = {1991}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/70/259/1}} @article{bach:583, Abstract = {Solar cells based on dye-sensitized mesoporous films of TiO2 arelow-cost alternatives to conventional solid-state devices. Impressive solar-to-electrical energy conversion efficiencies have been achieved with such films when used in conjunction with liquid electrolytes. Practical advantages may be gained by the replacement of the liquid electrolyte with a solid charge-transport material. Inorganic p-type semiconductors, and organic materials have been tested in this regard, but in all cases the incident monochromatic photon-to-electron conversion efficiency remained low. Here we describe a dye-sensitized heterojunction of TiO2 with the amorphous organic hole-transport material 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9'-spirobifluorene (OMeTAD; refs. 10 and 11). Photoinduced charge-carrier generation at the heterojunction is very efficient. A solar cell based on OMeTAD converts photons to electric current with a high yield of 33%.}, Author = {U. Bach and D. Lupo and P. Comte and J. E. Moser and F. Weissortel and J. Salbeck, H. Spreitzer and M. Gr{``a}tzel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Journal = {Nature}, Pages = {583}, Title = {Solid-state dye-sensitized mesoporous TiO2 solar cells with high photon-to-electron conversion efficiencies}, Volume = {395}, Year = {1998}} @article{bakhshi:13159, Author = {A. K. Bakhshi and Parul Bhargava}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymer blends; ab initio calculations; HF calculations; orbital calculations; band structure; polymer structure; conducting polymers}, Number = {24}, Pages = {13159-13169}, Publisher = {AIP}, Title = {Ab initio study of the electronic structures and conduction properties of some donor-acceptor polymers and their copolymers}, Url = {http://link.aip.org/link/?JCP/119/13159/1}, Volume = {119}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/119/13159/1}} @article{Ballentine98, Author = {L. E. Ballentine and S. M. McRae}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Journal = {Phys. Rev. A}, Keywords = {Semiclassical}, Month = {September}, Pages = {1799}, Title = {Moment equations for probability distributions in classical and quantum mechanics}, Volume = {58}, Year = {1998}} @article{barford:205204, Author = {William Barford}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:16 -0600}, Eid = {205204}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {organic light emitting diodes; optical polymers; conducting polymers; electroluminescence; electron-hole recombination; polarons; excitons; Franck-Condon factors; multiphoton processes; wave functions; exchange interactions (electron); charge exchange}, Number = {20}, Numpages = {8}, Pages = {205204}, Publisher = {APS}, Title = {Theory of singlet exciton yield in light-emitting polymers}, Url = {http://link.aps.org/abstract/PRB/v70/e205204}, Volume = {70}, Year = {2004}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v70/e205204}} @article{barford:115205, Author = {William Barford and Robert J. Bursill and Richard W. Smith}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Eid = {115205}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {conducting polymers; excitons; tight-binding calculations; bound states; triplet state; magnons; PPP calculations; renormalisation}, Number = {11}, Numpages = {12}, Pages = {115205}, Publisher = {APS}, Title = {Theoretical and computational studies of excitons in conjugated polymers}, Url = {http://link.aps.org/abstract/PRB/v66/e115205}, Volume = {66}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v66/e115205}} @article{barker:075205, Author = {J. A. Barker and C. M. Ramsdale and N. C. Greenham}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Eid = {075205}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {solar cells; conducting polymers; polymer films; space charge; charge injection; bipolarons; molecular electronics; current density}, Number = {7}, Numpages = {9}, Pages = {075205}, Publisher = {APS}, Title = {Modeling the current-voltage characteristics of bilayer polymer photovoltaic devices}, Url = {http://link.aps.org/abstract/PRB/v67/e075205}, Volume = {67}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v67/e075205}} @article{barth:4445, Author = {S. Barth and H. B{\"a}ssler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Journal = {Physical Review Letters}, Keywords = {conducting polymers; photoconductivity; polymer films; electric field effects; dissociation energies; excitons}, Number = {22}, Pages = {4445-4448}, Publisher = {APS}, Title = {Intrinsic Photoconduction in PPV-Type Conjugated Polymers}, Url = {http://link.aps.org/abstract/PRL/v79/p4445}, Volume = {79}, Year = {1997}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v79/p4445}} @article{Bartlett:2001, Author = {R. N. Bartlett and C. L. Cleveland and A. Joy and U. Landman and G. B. Schuster}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Journal = {Science}, Pages = {567-571}, Title = {Charge migration in DNA: ion-gated transport}, Volume = {294}, Year = {2001}} @article{basko:061902, Author = {D. M. Basko and E. M. Conwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Eid = {061902}, Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)}, Keywords = {DNA; molecular biophysics; radiation pressure; polarons}, Number = {6}, Numpages = {7}, Pages = {061902}, Publisher = {APS}, Title = {Self-trapping versus trapping: Application to hole transport in DNA}, Url = {http://link.aps.org/abstract/PRE/v65/e061902}, Volume = {65}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRE/v65/e061902}} @article{Basko:2002, Author = {D. M. Basko and E. M. Conwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. E}, Pages = {061902}, Title = {Self-trapping vs. Trapping: applications to hole transport in DNA}, Volume = {65}, Year = {2002}, Bdsk-File-1 = {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}} @article{bassler:377, Author = {H. B{\"a}ssler and V. Brandl and M. Deussen and E. O. Gobel and R. Kersting and H. Kurz and U. Lemmer and R. F. Mahrt and A. Ochse}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:17 -0600}, Journal = {Pure and Applied Chemistry}, Number = {3}, Pages = {337-385}, Publisher = {IUPAC}, Title = {Excitation dynamics in conjugated polymers}, Volume = {67}, Year = {1995}} @article{Bassler:1999, Author = {Heinz Bassler and Bernd Schweitzer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Accounts of Chemical Research}, Pages = {173}, Title = {Site-Selective Fluorescence Spectroscopy of Conjugated Polymers and Oligomers}, Url = {http://pubs.acs.org/cgi-bin/article.cgi/achre4/1999/32/i02/html/ar960228k.html/QueryZIP/C3-I/(VOL@@@@32)(SPN@@@@173)((achre4)(CDN))}, Volume = {32}, Year = {1999}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://pubs.acs.org/cgi-bin/article.cgi/achre4/1999/32/i02/html/ar960228k.html/QueryZIP/C3-I/(VOL@@%3CMATCHES%3E@@32)%3CAND%3E(SPN@@%3CMATCHES%3E@@173)%3CAND%3E(%3CANY%3E(achre4)%3CIN%3E(CDN))}} @article{bec00:1, Author = {M. H. Beck and A. J{\"a}ckle and G. A. Worth and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = pr, Pages = {1--105}, Title = {The multiconfiguration time-dependent {H}artree method: {A} highly efficient algorithm for propagating wavepackets.}, Volume = {324}, Year = {2000}} @article{bec01:2036, Author = {M. H. Beck and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = jcp, Pages = {2036--2046}, Title = {Efficiently computing bound-state spectra: {A} hybrid approach of the multi-configuration time-dependent {H}artree and filter-diagonalization methods.}, Volume = {114}, Year = {2001}} @article{bec98:3730, Author = {M. H. Beck and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = jcp, Pages = {3730--3741}, Title = {Extracting accurate bound-state spectra from approximate wave packet propagation using the fil\-ter-\-di\-ag\-o\-na\-li\-za\-tion method}, Volume = {109}, Year = {1998}} @article{bec97:113, Author = {M. H. Beck and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = zpd, Pages = {113--129}, Title = {An efficient and robust integration scheme for the equations of motion of the multiconfiguration time-dependent {H}artree ({MCTDH}) method}, Volume = {42}, Year = {1997}} @article{Belavkin00, Author = {V. P. Belavkin and P. Staszewski}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = {J. Math. Phys.}, Keywords = {Stochastic}, Month = {November}, Number = {11}, Pages = {7220}, Title = {Quantum stochastic differential equation for unstable systems}, Volume = {41}, Year = {2000}} @article{Beleznay:1964, Author = {F. Beleznay and G. Biczo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Number = {8}, Pages = {2351}, Rating = {5}, Read = {Yes}, Title = {Approximate computation of the energy band structure of native DNA}, Volume = {41}, Year = {1964}, Bdsk-File-1 = {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}} @article{beljonne:4749, Author = {D. Beljonne and J. Cornil and R. Silbey and P. Millie and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {Davydov splitting; wave functions; orbital calculations; excitons}, Number = {10}, Pages = {4749-4758}, Publisher = {AIP}, Title = {Interchain interactions in conjugated materials: The exciton model versus the supermolecular approach}, Url = {http://link.aip.org/link/?JCP/112/4749/1}, Volume = {112}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/112/4749/1}} @article{beljonne:2829, Author = {D. Beljonne and Z. Shuai and J. Cornil and D. A. dos Santos and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; optical harmonic generation; electroabsorption; polarisability; two-photon processes}, Number = {6}, Pages = {2829-2841}, Publisher = {AIP}, Title = {On the nature of electronic excitations in poly(paraphenylenevinylene): A quantum-chemical investigation}, Url = {http://link.aip.org/link/?JCP/111/2829/1}, Volume = {111}, Year = {1999}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/111/2829/1}} @article{beljonne:2042, Author = {D. Beljonne and Z. Shuai and R. H. Friend and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:18 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {TRIPLETS; OLIGOMERS; POLYMERS; PHENYLENE RADICALS; INDO CALCULATIONS; CONFIGURATION INTERACTION; HAMILTONIANS; ABSORPTION SPECTRA; CHAINS; LENGTH; EXTRAPOLATION; RELAXATION; BOND LENGTHS; MODIFICATIONS; POLARONS; OPTIMIZATION; EXCITED STATES}, Number = {5}, Pages = {2042-2049}, Publisher = {AIP}, Title = {Theoretical investigation of the lowest singlet and triplet states in poly(paraphenylene vinylene)oligomers}, Url = {http://link.aip.org/link/?JCP/102/2042/1}, Volume = {102}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/102/2042/1}} @conference{beljonne:147, Author = {David Beljonne and J. P. Cornil and J. P. Calbert and Jean-Luc Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Editor = {Bernard Kippelen and Donal D. C. Bradley}, Journal = {Organic Photonic Materials and Devices III}, Location = {San Jose, CA, USA}, Number = {1}, Pages = {147-152}, Publisher = {SPIE}, Title = {Charge transport in conjugated materials: insight from quantum chemical calculations}, Url = {http://link.aip.org/link/?PSI/4279/147/1}, Volume = {4279}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/4279/147/1}} @article{beljonne:419, Author = {David Beljonne and Zhigang Shuai and AiJun Ye and Jean-Luc Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {Journal of the Society for Information Display}, Number = {5}, Pages = {419-427}, Publisher = {SID}, Title = {Charge-recombination processes in oligomer- and polymer-based light-emitting diodes: A molecular picture}, Url = {http://link.aip.org/link/?JSI/13/419/1}, Volume = {13}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JSI/13/419/1}} @article{bergh:42, Author = {Arpad Bergh and George Craford and Anil Duggal and Roland Haitz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {Physics Today}, Number = {12}, Pages = {42-47}, Publisher = {AIP}, Title = {The Promise and Challenge of Solid-State Lighting}, Volume = {54}, Year = {2001}} @article{Berlin:2000, Author = {Y. A. Berlin and A. L. Burin and M. A. Ratner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {J. Phys. Chem.}, Keywords = {DNA}, Pages = {443-445}, Title = {On the long range charge transfer in DNA}, Volume = {104}, Year = {2000}} @article{Berman91, Author = {M. Berman and R. Kossloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {Comp. Phys. Comm.}, Keywords = {Unknown - WavePacket}, Volume = {63}, Year = {1991}} @article{Berman92, Author = {M. Berman and R. Kossloff and H. Tal-Ezer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {J. Phys. A}, Keywords = {QTM - Unknown - WavePacket}, Pages = {1283}, Volume = {25}, Year = {1992}} @article{Bernacchi:2001, Abstract = {Mol. beacons are hairpin-shaped, single-stranded oligonucleotides constituting sensitive fluorescent DNA probes widely used to report the presence of specific nucleic acids. In its closed form the stem of the hairpin holds the fluorophore covalently attached to one end, close to the quencher, which is covalently attached to the other end. Here we report that in the closed form the fluorophore and the quencher form a ground state intramol. heterodimer whose spectral properties can be described by exciton theory. Formation of the heterodimers was found to be poorly sensitive to the stem sequence, the resp. positions of the dyes and the nature of the nucleic acid (DNA or RNA). The heterodimer allows strong coupling between the transition dipoles of the two chromophores, leading to dramatic changes in the absorption spectrum that are not compatible with a Forster-type fluorescence resonance energy transfer (FRET) mechanism. The excitonic heterodimer and its assocd. absorption spectrum are extremely sensitive to the orientation of and distance between the dyes. Accordingly, the application of mol. beacons can be extended to monitoring short range modifications of the stem structure. Moreover, the excitonic interaction was also found to operate for doubly end-labeled duplexes. [on SciFinder (R)]}, Author = {Bernacchi, Serena and Mely, Yves.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {Nucleic Acids Research}, Keywords = {exciton interaction mol beacon sensor oligonucleotide; nucleic acid structure fluorescence mol beacon}, Owner = {bittner}, Pages = {e62/1-e62/8}, Timestamp = {2006.01.02}, Title = {Exciton interaction in molecular beacons: a sensitive sensor for short range modifications of the nucleic acid structure.}, Volume = {29}, Year = {2001}} @article{Berne70, Author = {B. J. Berne and G. D. Harp}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:19 -0600}, Journal = {Adv. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {63}, Volume = {17}, Year = {1970}} @article{Besaratinia:2005, Author = {Ahmed Besaratinia and T. W. Synold and Hsui-Hua Chen and Cheng Chang and Bixin Xi and Arthur Riggs}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Proc Natl Acad Sci U S A}, Keywords = {DNA}, Number = {29}, Pages = {10058}, Title = {DNA lesions: induced by UV A1 and B radiation in human cells: comparative analysis in the overall genome and in the p53 tumor suppressor gene}, Volume = {102}, Year = {2005}, Bdsk-File-1 = {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}} @article{Bhalla:2003, Author = {V. Bhalla and R. P. Bajpai and L. M. Bharadwaj}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {European Molecular Biology reports}, Keywords = {DNA}, Pages = {442--445}, Title = {DNA electronics}, Volume = {4}, Year = {2003}} @article{Bhattacharya00, Author = {T. Bhattacharya and S. Habib and K. Jacobs}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Unknown - Cosmology}, Month = {December}, Number = {23}, Pages = {4852}, Title = {Continuous Quantum Measurement and the Emergence of Classical Chaos}, Volume = {85q}, Year = {2000}} @article{Billing01t, Author = {G. D. Billing}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Unknown - WavePacket}, Month = {April}, Number = {15}, Pages = {6641}, Title = {Quantum dressed classical mechanics}, Volume = {115}, Year = {2001}} @article{Billing99, Author = {G. D. Billing}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {J. Chem. Phys.}, Keywords = {WavePacket}, Month = {March}, Number = {12}, Pages = {5526}, Title = {Time-dependent quantum dynamics in a Gauss-Hermite basis}, Volume = {110}, Year = {1999}} @article{Billing93, Author = {G. D. Billing}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {October}, Pages = {5849}, Title = {Quantum corrections to the classical path theory}, Volume = {99}, Year = {1993}} @article{Bittner:2006b, Author = {E. R. Bittner and Stoyan Karabunarliev and Laura M. Herz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {J. Chem. Phys.}, Title = {Theory of interchain non-Condon emission in conjugated polymer aggregates}, Url = {http://k2.chem.uh.edu/cgi-bin/bib.cgi}, Year = {2006}, Bdsk-Url-1 = {http://k2.chem.uh.edu/cgi-bin/bib.cgi}} @article{Bittner00a, Author = {E. R. Bittner and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {J. Chem. Phys.}, Keywords = {QTM - Bohmian}, Month = {November}, Number = {20}, Pages = {8888}, Title = {Integrating the quantum Hamilton-Jacobi equations by wavefront expansion and phase space analysis}, Volume = {113}, Year = {2000}} @article{bittner:1358, Author = {Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:20 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {quantum theory; initial value problems; wave functions; eigenvalues and eigenfunctions; hydrodynamics}, Number = {3}, Pages = {1358-1364}, Publisher = {AIP}, Title = {Quantum initial value representations using approximate Bohmian trajectories}, Url = {http://link.aip.org/link/?JCP/119/1358/1}, Volume = {119}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/119/1358/1}} @article{bittner:9703, Author = {Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {tunnelling; quantum theory; wave functions; Schrodinger equation; finite element analysis; least squares approximations}, Number = {22}, Pages = {9703-9710}, Publisher = {AIP}, Title = {Quantum tunneling dynamics using hydrodynamic trajectories}, Url = {http://link.aip.org/link/?JCP/112/9703/1}, Volume = {112}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/112/9703/1}} @article{bittner:5314, Author = {Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {SURFACES; MOLECULE COLLISIONS; MOLECULES; INELASTIC SCATTERING; MULTI\&\#150;PHONON PROCESSES; SERIES EXPANSION; LIPPMANN\&\#150;SCHWINGER EQUATION; ENERGY DEPENDENCE; SELF\&\#150;ENERGY; GREEN FUNCTION; WAVE FUNCTIONS; TRAPPING; ADHESION; SPIN ORIENTATION; HYDROGEN; HELIUM; LIQUIDS; FILMS; TEMPERATURE ZERO K}, Number = {7}, Pages = {5314-5322}, Publisher = {AIP}, Title = {On the low energy limits of inelastic molecule--surface scattering}, Url = {http://link.aip.org/link/?JCP/100/5314/1}, Volume = {100}, Year = {1994}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/100/5314/1}} @article{bittner-ijqc, Abstract = { Electron-hole (e-h) capture in luminescent conjugated polymers (LCPs) is modeled by the dissipative dynamics of a multilevel electronic system coupled to a phonon bath. Electroinjected e-h pairs are simulated by a mixed quantum state, which relaxes via phonon-driven internal conversions to low-lying charge-transfer (CT) and excitonic (XT) states. The underlying two-band polymer model reflects PPV and spans monoexcited configuration interaction singlets (S) and triplets (T), coupled to Franck-Condon active C\&dbond;C stretches and ring torsions. Focusing entirely upon long PPV chains, we consider the recombination kinetics of an initially separated CT pair. Our model calculations indicate that S and T recombination proceeds according to a branched, two-step mechanism dictated by near e-h symmetry. The initial relaxation occurs rapidly with nearly half of the population going into excitons (SXT or TXT), while the remaining portion remains locked in metastable CT states. While formation rates of SCT and TCT are nearly equal, SXT is formed about twice as fast TXT in concurrence with experimental observations of these systems. Further, breaking e-h symmetry suppresses the XT to CT branching ratio for triplets and opens a slow CT ? XT conversion channel exclusively for singlets due to dipole-dipole interactions between geminate and nongeminate configurations. Finally, our calculations yield a remarkable linear relation between chain length and singlet/triplet branching ratio that can be explained in terms of the binding energies of the respective final excitonic states and the scaling of singlet-triplet energy gap with chain length.}, Author = {Eric R. Bittner and Stoyan Karabunarliev}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Journal = {International Journal of Quantum Chemistry}, Number = {4-5}, Pages = {521-531}, Title = {Energy relaxation dynamics and universal scaling laws in organic light-emitting diodes}, Url = {http://dx.doi.org/10.1002/qua.10754}, Volume = {95}, Year = {2003}, Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.10754}} @article{bittner:034707, Author = {Eric R. Bittner and Stoyan Karabunarliev and Aijun Ye}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Eid = {034707}, Journal = {The Journal of Chemical Physics}, Keywords = {photoconductivity; organic semiconductors; excitons; wires; photoemission; excited states; charge transfer states; polymers; tunnelling; hole density; electron density; electroluminescence; Green's function methods}, Number = {3}, Numpages = {13}, Pages = {034707}, Publisher = {AIP}, Title = {Photoconductivity and current producing states in molecular semiconductors}, Url = {http://link.aip.org/link/?JCP/122/034707/1}, Volume = {122}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/122/034707/1}} @article{bittner:2614, Author = {Eric R. Bittner and John C. Light}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {MANY\&\#150;BODY PROBLEM; RESONANCE; QUANTUM MECHANICS; ADHESION; SURFACES; ATOMS; ANALYTICAL SOLUTION; NUMERICAL DATA; DYSON REPRESENTATION; SELF\&\#150;ENERGY; RENORMALIZATION; SCATTERING; TRANSITION PROBABILITIES; BOUND STATES; PHONONS; VIRTUAL STATES; POTENTIALS}, Number = {6}, Pages = {2614-2621}, Publisher = {AIP}, Title = {Many-body effects and resonances in universal quantum sticking of cold atoms to surfaces}, Url = {http://link.aip.org/link/?JCP/102/2614/1}, Volume = {102}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/102/2614/1}} @article{bittner:2446, Author = {Eric R. Bittner and John C. Light}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {QUANTUM MECHANICS; STOCHASTIC PROCESSES; SURFACES; EQUATIONS OF MOTION; SCATTERING; ADSORPTION; RESONANCE; HELIUM; XENON; OVERLAYERS; SILVER; MONOLAYERS; ATOM COLLISIONS; DENSITY MATRIX; TRAJECTORIES; INELASTIC SCATTERING; ENERGY TRANSFER; LIFETIME; DEBYE\&\#150;WALLER FACTOR}, Number = {3}, Pages = {2446-2454}, Publisher = {AIP}, Title = {Quantum stochastic approach for molecule/surface scattering. II. Adsorption resonances of He atoms on Xe overlayers}, Url = {http://link.aip.org/link/?JCP/101/2446/1}, Volume = {101}, Year = {1994}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/101/2446/1}} @article{bittner:8229, Author = {Eric R. Bittner and John C. Light}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:22 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {STOCHASTIC PROCESSES; QUANTUM MECHANICS; SURFACES; MOLECULE COLLISIONS; INELASTIC SCATTERING; PHONONS; ATOMS; COUPLING; TEMPERATURE DEPENDENCE; TIME DEPENDENCE; HARTREE\&\#150;FOCK METHOD; FACTORIZATION; SCHROEDINGER EQUATION; WAVE FUNCTIONS; MEAN\&\#150;FIELD THEORY; HAMILTONIANS; ENERGY LOSSES; EQUATIONS OF MOTION; ONE\&\#150;DIMENSIONAL CALCULATIONS; WAVE PACKETS; ENERGY TRANSFER; MOLECULES; HELIUM; XENON; OVERLAYERS; ADSORPTION; RESONANCE}, Number = {10}, Pages = {8229-8237}, Publisher = {AIP}, Title = {Quantum stochastic approach for molecule/surface scattering. I. Atom--phonon interactions}, Url = {http://link.aip.org/link/?JCP/99/8229/1}, Volume = {99}, Year = {1993}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/99/8229/1}} @article{bittner:8888, Author = {Eric R. Bittner and Robert E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:22 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {integration; quantum theory; wave functions; Rayleigh-Ritz methods; tunnelling}, Number = {20}, Pages = {8888-8897}, Publisher = {AIP}, Title = {Integrating the quantum Hamilton--Jacobi equations by wavefront expansion and phase space analysis}, Url = {http://link.aip.org/link/?JCP/113/8888/1}, Volume = {113}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/113/8888/1}} @article{Bixon:1999, Author = {M. Bixon and B. Giese and S. Wessely and T. Langgenbacher and M. E. Michael-Beyerele and J. Jortner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:22 -0600}, Journal = {Proc Natl Acad Sci U S A}, Keywords = {DNA}, Pages = {11713}, Title = {Long-range charge hopping in DNA}, Volume = {96}, Year = {1999}} @conference{bjorstrom:61921X, Author = {Cecilia M. Bjorstrom and Svante Nilsson and Kjell O. Magnusson and Ellen Moons and Andrzej Bernasik and Jakub Rysz and Andrzej Budkowski and Fengling Zhang and Olle Inganas and Mats R. Andersson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:22 -0600}, Editor = {Paul L. Heremans and Michele Muccini and Eric A. Meulenkamp}, Eid = {61921X}, Journal = {Organic Optoelectronics and Photonics II}, Location = {Strasbourg, France}, Number = {1}, Numpages = {9}, Pages = {61921X}, Publisher = {SPIE}, Title = {Influence of solvents and substrates on the morphology and the performance of low-bandgap polyfluorene: PCBM photovoltaic devices}, Url = {http://link.aip.org/link/?PSI/6192/61921X/1}, Volume = {6192}, Year = {2006}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/6192/61921X/1}} @article{Bobba:2003, Abstract = {In cationic nine-coordinate chiral terbium and europium complexes incorporating exciton-coupled naphthyl groups and a tetraazatriphenylene sensitizing chromophore, efficient intramol. energy transfer occurs leading to population of the naphthyl triplet state. With the terbium complex, the abs. quantum yield of singlet oxygen formation is 51% (lexc 355 nm), and for the Eu complex the intensity of metal-based emission increases by up to 350% on binding to poly(dGdC) or calf-thymus DNA, and was greater for the D-isomer. [on SciFinder (R)]}, Author = {Bobba, Gabriella and Bretonniere, Yann and Frias, Juan-Carlos and Parker, David.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {Organic \& Biomolecular Chemistry}, Keywords = {enantiopure lanthanide complex tetraazatriphenylene sensitizer naphthyl intramol energy transfer; singlet oxygen lanthanide complex intramol energy transfer exciton coupling}, Owner = {bittner}, Pages = {1870-1872}, Timestamp = {2006.01.02}, Title = {Enantiopure lanthanide complexes incorporating a tetraazatriphenylene sensitizer and three naphthyl groups: exciton coupling, intramolecular energy transfer, efficient singlet oxygen formation and perturbation by DNA binding.}, Volume = {1}, Year = {2003}} @article{Bohm52, Author = {D. Bohm}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {Phys. Rev.}, Keywords = {Bohm Theory - Bohmian}, Month = {January}, Pages = {166}, Title = {A Suggested Interpretation of the Quantum Theory in Terms of ``Hidden'' Variables. I}, Volume = {85}, Year = {1952}} @article{Bohm52a, Author = {D. Bohm}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {Phys. Rev.}, Keywords = {Bohm Theory - Bohmian}, Month = {January}, Pages = {180}, Title = {A Suggeted Interpretation of the Quantum Theory in Terms of ``Hidden'' Variables. II}, Volume = {85}, Year = {1952}} @book{Bohm93, Author = {D. Bohm and B. Hiley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Keywords = {Bohmian}, Publisher = {Routlegde}, Title = {The Undivided Universe: an ontological interpretation of quantum theory}, Year = {1993}} @article{bohm:3342, Author = {Michael C. Bohm and Helmut Vogler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {semiconductor materials; one \&\#150; dimensional systems; band structure; organic compounds; orbital calculations; tight binding approximation; polymers; hamiltonians; metal \&\#150; insulator transformations; charge transport}, Number = {6}, Pages = {3342-3361}, Publisher = {APS}, Title = {Model calculations on the band structures of one-dimensional mixed donor-acceptor systems}, Url = {http://link.aps.org/abstract/PRB/v28/p3342}, Volume = {28}, Year = {1983}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v28/p3342}} @article{Boon:2003, Author = {E. Boon and A. Livingston and N. Chmiel and S. David and J. Barton}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {Proc Natl Acad Sci U S A}, Keywords = {DNA}, Pages = {12543}, Title = {DNA mediated charge transport for DNA repair}, Volume = {100}, Year = {2003}} @article{Bouvier2002vu, Abstract = {The present communication addresses the question of the magnitude of dipolar coupling between the lowest electronic transition moments of the DNA nucleosides and its relevance to Frenkel exciton states in double helixes. The transition energies and moments of the nucleosides are detd. from absorption spectra recorded for dil. water solns. Dipolar interactions are computed for some typical nucleoside dimers according to the at. transition charge distribution model. The properties of the exciton states of two particular double helixes, (dA)20.(dT)20 and (dAdT)10.(dAdT)10, are calcd. considering three closely lying mol. electronic transitions (S1 and S2 for adenosine, S1 for thymidine). It is shown that (i) the oscillator strength is distributed over a small no. of eigenstates, (ii) important mixing of the three monomer electronic transitions may occur, (iii) all eigenstates are spatially delocalised over the whole length of the double helix and (iv) the extent of exciton states over the two strands depends on the base sequence. [on SciFinder (R)]}, Author = {Bouvier, B. and Gustavsson, T. and Markovitsi, D. and Millie, P.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Chemical Physics}, Keywords = {DNA deoxyribonucleoside dipolar coupling electronic transition exciton}, Owner = {bittner}, Pages = {75-92}, Read = {Yes}, Timestamp = {2006.01.02}, Title = {Dipolar coupling between electronic transitions of the {DNA} bases and its relevance to exciton states in double helices.}, Volume = {275}, Year = {2002}, Bdsk-File-1 = {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}} @article{Bouvier_2003, Author = {Benjamin Bouvier and Jean-Pierre Dognon and Richard Lavery and Dimitra Markovitsi and Philippe Millie and Delphine Onidas and Krystyna Zakrzewska}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:23 -0600}, Journal = {J. Phys. Chem. B}, Owner = {beata}, Pages = {13512-13522}, Timestamp = {2007.10.18}, Title = {Influence of Conformational Dynamics on the Exciton States of DNA Oligomers}, Volume = {107}, Year = {2003}} @article{Braun:1998, Author = {E. Braun and T. Eichen and U. Sivan and G. Ben-Yoseph}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {Nature}, Keywords = {DNA}, Pages = {775-778}, Title = {DNA templated assembly and electrode attachment of a conducting silver wire}, Volume = {391}, Year = {1998}} @article{Brauns:2002, Author = {Eric B. Brauns and M. L. Madaras and R. S. Coleman and C. J. Murphy and M. A. Berg}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Physical Review Letters}, Number = {15}, Pages = {158010}, Title = {Complex local dynamics in DNA on the picosecond and nanosecond time scales}, Volume = {88}, Year = {2002}, Bdsk-File-1 = {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}} @conference{breeze:271, Author = {Alison J. Breeze and Garry Rumbles and Brian A. Gregg and David S. Ginley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Journal = {Organic Photovoltaics IV}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {271-275}, Publisher = {SPIE}, Title = {The effects of processing conditions on polymer photovoltaic device performance}, Url = {http://link.aip.org/link/?PSI/5215/271/1}, Volume = {5215}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5215/271/1}} @article{Broglie27, Author = {L. de Broglie}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {C. R. Acad. Sci. Paris}, Keywords = {Bohmian}, Pages = {273}, Volume = {184}, Year = {1927}} @article{Broglie26, Author = {L. de Broglie}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {C. R. Acad. Sci. Paris}, Keywords = {Bohmian}, Pages = {24}, Volume = {183}, Year = {1926}} @article{Broglie26a, Author = {L. de Broglie}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {Nature}, Keywords = {Bohmian}, Pages = {441}, Volume = {118}, Year = {1926}} @article{bromberg:4058, Author = {A. Bromberg and C. W. Tang and A. C. Albrecht}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {The Journal of Chemical Physics}, Number = {10}, Pages = {4058-4062}, Publisher = {AIP}, Title = {Photoconductivity of chlorophyll-a induced by a tunable dye laser}, Url = {http://link.aip.org/link/?JCP/60/4058/1}, Volume = {60}, Year = {1974}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/60/4058/1}} @article{Broo:1997, Author = {A. Broo and A. Holmen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {J. Phys. Chem. A}, Pages = {3589}, Volume = {101}, Year = {1997}} @article{brown:2793, Author = {A. R. Brown and D. D. C. Bradley and J. H. Burroughes and R. H. Friend and N. C. Greenham and P. L. Burn and A. B. Holmes and A. Kraft}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:24 -0600}, Journal = {Applied Physics Letters}, Keywords = {LIGHT EMITTING DIODES; POLYMERS; ELECTROLUMINESCENCE; EFFICIENCY; MULTILAYERS; THERMAL INSTABILITIES; EXCITONS; CONFINEMENT; INJECTION}, Number = {23}, Pages = {2793-2795}, Publisher = {AIP}, Title = {Poly(p-phenylenevinylene) light-emitting diodes: Enhanced electroluminescent efficiency through charge carrier confinement}, Url = {http://link.aip.org/link/?APL/61/2793/1}, Volume = {61}, Year = {1992}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/61/2793/1}} @article{Brown96, Author = {D. F. R. Brown and M. N. Gibbs and D. C. Clary}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Stochastic}, Month = {November}, Number = {17}, Pages = {7597}, Title = {Combining {\em ab initio} computations, neural networks, and diffusion Monte Carlo: An efficient method to treat weakly bound moleclues}, Volume = {105}, Year = {1996}} @article{Brown:2003, Author = {Peter J. Brown and D. Steve Thomas and Anna K{\"o}hler and Joanne S. Wilson and Ji-Seon Kim and Catherine M. Ramsdale and Henning Sirringhaus and Richard H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. B}, Pages = {064203}, Title = {Effect of interchain interactions on the absorption and emission of poly(3-hexylthiophene)}, Url = {http://scitation.aip.org.ezproxy.lib.uh.edu/getabs/servlet/GetabsServlet?prog=normal\&id=PRBMDO000067000006064203000001\&idtype=cvips\&gifs=yes}, Volume = {67}, Year = {2003}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://scitation.aip.org.ezproxy.lib.uh.edu/getabs/servlet/GetabsServlet?prog=normal%5C&id=PRBMDO000067000006064203000001%5C&idtype=cvips%5C&gifs=yes}} @article{Bruinsma:2000, Author = {R. Bruinsma and G. Gruner and M. R. D'Orsonga and J. Rundnik}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {DNA}, Pages = {4393-4396}, Title = {Fluctuation facilitated charge migration along DNA}, Volume = {85}, Year = {2000}} @article{Brun00, Author = {T. A. Brun}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {Phys. Rev. A}, Keywords = {Cosmology}, Month = {March}, Pages = {042107}, Title = {Continuous measurements, quantum trajectories, and decoherent histories}, Volume = {61}, Year = {2000}} @article{Brun97, Author = {T. A. Brun}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Cosmology}, Month = {March}, Number = {10}, Pages = {1833}, Title = {Quantum Jumps as Decoherent Histories}, Volume = {78}, Year = {1997}} @article{Brun96, Author = {T. A. Brun and J. J. Halliwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {Phys. Rev. D}, Keywords = {Cosmology}, Month = {August}, Pages = {2899}, Title = {Decoherence of hydrodynamic histories: A simple spin model}, Volume = {54}, Year = {1996}} @article{Brunner:1975, Author = {Wendel C. Brunner and Marcos F. Maestre}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {Biopolymers}, Pages = {555--565}, Title = {Circular Dichroism of Some Mononucleosides}, Volume = {14}, Year = {1975}} @article{Buchvarov_2007, Author = {Ivan Buchvarov and Qiang Wang and Milen Raytchev and Anton Trifonov and Torsten Fiebig}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {PNAS}, Owner = {Arkadiusz Czader}, Pages = {4794-4797}, Timestamp = {2007.10.22}, Title = {Electronic Energy Delocalization and Dissipation in Single- and Double-Stranded DNA}, Volume = {104}, Year = {2007}} @article{Burant00, Author = {J. C. Burant and J. C. Tully}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:25 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Pages = {6097}, Volume = {112}, Year = {2000}} @article{Burghardt01, Author = {I. Burghardt and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohm Theory - Bohmian}, Month = {December}, Number = {22}, Pages = {10303}, Title = {Hydrodynamic equation for mixed quantum states. I. General formulation}, Volume = {115}, Year = {2001}} @article{Burghardt01a, Author = {I. Burghardt and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {December}, Number = {22}, Pages = {10312}, Title = {Hydrodynamic equations for mixed quantum states. II. Coupled electronic states}, Volume = {115}, Year = {2001}} @article{burgi:6129, Author = {L. Burgi and T. J. Richards and R. H. Friend and H. Sirringhaus}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {Journal of Applied Physics}, Keywords = {conducting polymers; field effect transistors; charge injection; contact resistance; Schottky barriers; organic semiconductors; carrier mobility; thin film transistors}, Number = {9}, Pages = {6129-6137}, Publisher = {AIP}, Title = {Close look at charge carrier injection in polymer field-effect transistors}, Url = {http://link.aip.org/link/?JAP/94/6129/1}, Volume = {94}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/94/6129/1}} @article{burin:215503, Author = {A. L. Burin and M. A. Ratner and H. Cao and R. P. H. Chang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Eid = {215503}, Journal = {Physical Review Letters}, Keywords = {random media; laser theory; eigenvalues and eigenfunctions; optical pumping; luminescence; optical feedback; nanotechnology; laser cavity resonators}, Number = {21}, Numpages = {4}, Pages = {215503}, Publisher = {APS}, Title = {Model for a Random Laser}, Url = {http://link.aps.org/abstract/PRL/v87/e215503}, Volume = {87}, Year = {2001}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v87/e215503}} @conference{burin:142, Author = {Alexander L. Burin and Mark A. Ratner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Editor = {Alexander J. Glass and Joseph W. Goodman and Milton Chang and Arthur H. Guenther and Toshimitsu Asakura}, Journal = {18th Congress of the International Commission for Optics}, Location = {San Francisco, CA, USA}, Number = {1}, Pages = {142-143}, Publisher = {SPIE}, Title = {Efficiency of organic light-emitting diodes}, Url = {http://link.aip.org/link/?PSI/3749/142/1}, Volume = {3749}, Year = {1999}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3749/142/1}} @article{burin:3941, Author = {Alexander L. Burin and Mark A. Ratner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {metals; electrodes; charge injection; Fermi level; carrier density; Gaussian distribution}, Number = {10}, Pages = {3941-3944}, Publisher = {AIP}, Title = {Temperature and field dependence of the charge injection from metal electrodes into random organic media}, Url = {http://link.aip.org/link/?JCP/113/3941/1}, Volume = {113}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/113/3941/1}} @article{burin:6092, Author = {Alexander L. Burin and Mark A. Ratner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {light emitting diodes; fluorescence; master equation; organic compounds}, Number = {14}, Pages = {6092-6102}, Publisher = {AIP}, Title = {Spin effects on the luminescence yield of organic light emitting diodes}, Url = {http://link.aip.org/link/?JCP/109/6092/1}, Volume = {109}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/109/6092/1}} @article{Burland:1970, Author = {D. M. Burland and G. W. Robinson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {PNAS}, Pages = {257}, Title = {Is the Breakdown of the Born-Oppenheimer Approximation Responsible for Internal Conversion in Large Molecules?}, Volume = {66}, Year = {1970}, Bdsk-File-1 = {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}} @article{Butine96, Author = {W. Butine}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:26 -0600}, Journal = {IEEE Trans. Knowledge Data Eng.}, Keywords = {Bayesian - Physics}, Month = {April}, Number = {2}, Pages = {195}, Title = {A guide to the literature on learning probabilistic networks from data}, Volume = {8}, Year = {1996}} @article{Cadeta:2005, Abstract = {Emphasis is placed in this review article on recent aspects of the photochemistry of cellular DNA in which both the UVB and UVA components of solar radiation are implicated individually or synergistically. Interestingly, further mechanistic insights into the UV-induced formation of DNA photoproducts were gained from the application of new accurate and sensitive chromatographic and enzymic assays aimed at measuring base damage. Thus, each of the twelve possible dimeric photoproducts that are produced at the four main bipyrimidine sites can now be singled out as dinucleoside monophosphates that are enzymatically released from UV-irradiated DNA. This was achieved using a recently developed high-performance liquid chromatography--tandem mass spectrometry assay (HPLC--MS/MS) assay after DNA extraction and appropriate enzymic digestion. Interestingly, a similar photoproduct distribution pattern is observed in both isolated and cellular DNA upon exposure to low doses of either UVC or UVB radiation. This applies more specifically to the DNA of rodent and human cells, the cis-syn cyclobutadithymine being predominant over the two other main photolesions, namely thymine-cytosine pyrimidine (6-4) pyrimidone adduct and the related cyclobutyl dimer. UVA-irradiation was found to generate cyclobutane dimers at TT and to a lower extent at TC sites as a likely result of energy transfer mechanism involving still unknown photoexcited chromophore(s). Oxidative damage to DNA is also induced although less efficiently by UVA-mediated photosensitization processes that mostly involved 1O2 together with a smaller contribution of hydroxyl radical-mediated reactions through initially generated superoxide radicals}, Author = {Jean Cadeta and Evelyne Sage and Thierry Douki}, Booktitle = {Ultraviolet radiation-mediated damage to cellular DNA}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Mutation Research/Fundamental and Molecular Mechanisms of Mutagenesis}, Keywords = {Biological Effects of Ultraviolet Radiation,Cyclobutadipyrimidines; Pyrimidine (6-4) pyrimidone adducts; Dewar valence isomers; Oxidative damage; Singlet oxygen; Radical reaction}, Number = {1-2}, Pages = {3-17}, Title = {Ultraviolet radiation-mediated damage to cellular DNA}, Url = {http://dx.doi.org/10.1016/j.mrfmmm.2004.09.012}, Volume = {571}, Year = {2005}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.mrfmmm.2004.09.012}} @article{Caetano:2005, Author = {R. A. Caetano and P. A. Schulz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Physical Review Letters}, Keywords = {DNA; molecular biophysics; electronic density of states; biotransport}, Number = {12}, Pages = {126601}, Title = {Sequencing-Independent Delocalization in a DNA-Like Double Chain with Base Pairing}, Url = {http://link.aps.org/abstract/PRL/v95/e126601}, Volume = {95}, Year = {2005}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v95/e126601}} @article{Caffarel92, Author = {M. Caffarel and D. M. Ceperley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian - Stochastic}, Month = {December}, Number = {11}, Pages = {8415}, Title = {A Bayesian analysis of Green's function Monte Carlo correlation functions}, Volume = {97}, Year = {1992}} @book{Calaway, Address = {New York}, Author = {Joseph Calaway}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Publisher = {Academic Press}, Title = {Quantum Theory of the Solid State}, Year = {1974}} @article{Calderia85, Author = {A. O. Calderia and A. J. Leggett}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Phys. Rev. A}, Keywords = {Cosmology}, Pages = {1059}, Volume = {31}, Year = {1985}} @article{Calderia83, Author = {A. O. Calderia and A. J. Leggett}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Physica}, Keywords = {Cosmology}, Pages = {587}, Volume = {121A}, Year = {1983}} @article{Calderia82, Author = {A. O. Calderia and A. J. Leggett}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Ann. Phys. (N.Y.)}, Keywords = {Cosmology}, Pages = {374}, Volume = {147}, Year = {1982}} @article{Callis1979qe, Author = {P. R. Callis}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Chem. Phys. Lett.}, Pages = {563-567}, Title = {Polarized fluorescence and estimated lifetimes of the DNA bases at room temperature}, Volume = {61}, Year = {1979}} @article{Callis:1983, Author = {Patrik R. Callis}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Ann. Rev. Phys. Chem.}, Pages = {329--57}, Title = {Electronic States and Luminescence of Nucleic Acid Systems}, Volume = {34}, Year = {1983}} @article{campbell:1900, Author = {I. H. Campbell and T. W. Hagler and D. L. Smith and J. P. Ferraris}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:27 -0600}, Journal = {Physical Review Letters}, Keywords = {COPOLYMERS; ABSORPTION SPECTRA; MIM JUNCTIONS; EXCITONS; ELECTRO \&\#150; OPTICAL EFFECTS; PHOTOEMISSION; SCHOTTKY BARRIER DIODES; ENERGY GAP; ELECTRON TRANSFER; BINDING ENERGY}, Number = {11}, Pages = {1900-1903}, Publisher = {APS}, Title = {Direct measurement of conjugated polymer electronic excitation energies using metal/polymer/metal structures}, Url = {http://link.aps.org/abstract/PRL/v76/p1900}, Volume = {76}, Year = {1996}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v76/p1900}} @article{Canuel:2005, Author = {C. Canuel and M. Mons and F. Piuzzi and B. Tardivel and I. Dimicoli and M. Elhanine}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Pages = {074316}, Title = {Excited state dynamics of DNA and RNA bases: characterization of a stepwise deactivation pathway in the gas phase}, Volume = {112}, Year = {2005}, Bdsk-File-1 = {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}} @article{Cao99, Author = {J. Cao and L. W. Ungar and G. A. Voth}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized - Uncatagorized}, Pages = {4189}, Volume = {104}, Year = {1999}} @article{cap96:3366, Author = {A. Capellini and A. P. J. Jansen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = jcp, Pages = {3366}, Title = {Convergence study of multi-configuration time-dependent {H}artree simulations: {H}$_2$ scattering from {L}i{F}(001).}, Volume = {104}, Year = {1996}} @article{cat01:2088, Author = {Chr. Cattarius and G. A. Worth and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = jcp, Pages = {2088--2100}, Title = {All mode dynamics at the conical intersection of an octa-atomic molecule: {M}ulti-configuration time-dependent Hartree ({MCTDH}) investigation on the butatriene cation}, Volume = {115}, Year = {2001}} @article{cat04:9283, Author = {Christoph Cattarius and Hans-Dieter Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = jcp, Pages = {9283--9296}, Title = {Multi-dimensional density operator propagations in open systems: {M}odel studies on vibrational relaxation and surface sticking processes.}, Volume = {121}, Year = {2004}} @article{Caves02, Author = {C. M. Caves and C. A. Fuchs and R. Schack}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = {J. Math. Phys.}, Keywords = {Stochastic}, Month = {September}, Pages = {4537}, Title = {Unknown quantum states: The quantum de Finetti representation}, Volume = {43}, Year = {2002}} @article{Caves02a, Author = {C. M. Caves and C. A. Fuchs and R. Schack}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = {Phys. Rev. A}, Keywords = {Stochastic}, Month = {January}, Pages = {022305}, Title = {Quantum probabilities as Bayesian probabilities}, Volume = {65}, Year = {2002}} @article{Cederbaum:2005, Abstract = {The short-time dynamics through a conical intersection of a macrosystem with a vast number of nuclear degrees of freedom (modes) is investigated. For convenience, the macrosystem is decomposed into a system carrying a few modes and a ``bath.'' By transforming the bath modes to new ones, it is shown that only three effective bath modes contribute to the conical intersection. They govern---together with the system's modes---the short-time dynamics of the macrosystem. The remaining bath modes do not directly couple the electronic states and become relevant at longer times. An extensive numerical example is presented.}, Author = {L. Cederbaum and E. Gildensperger and I. Burghardt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {effective modes, conical intersections}, Pages = {113003}, Title = {Short-Time Dynamics Through Conical Intersections in Macrosystems}, Url = {http://link.aps.org/abstract/PRL/v94/e113003}, Volume = {94}, Year = {2005}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v94/e113003}} @article{Ceperley86, Author = {D. M. Ceperley and E. L. Pollock}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:28 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Stochastic}, Month = {January}, Pages = {351}, Title = {Path-Integral Computation of the Low-Temperature Properties of Liquid ^4He}, Volume = {56}, Year = {1986}} @article{chandross:1497, Author = {M. Chandross and S. Mazumdar}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {nonlinear optics; polymers; spectra; excitons; binding energy; configuration interactions; triplet state; electric potential}, Number = {3}, Pages = {1497-1504}, Publisher = {APS}, Title = {Coulomb interactions and linear, nonlinear, and triplet absorption in poly(para-phenylenevinylene)}, Url = {http://link.aps.org/abstract/PRB/v55/p1497}, Volume = {55}, Year = {1997}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v55/p1497}} @article{chandross:14702, Author = {M. Chandross and S. Mazumdar and S. Jeglinski and X. Wei and Z. V. Vardeny and E. W. Kwock and T. M. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {EXCITONS; PHOTOCONDUCTIVITY; QUANTUM EFFICIENCY; PHOTOLUMINESCENCE; OPTICAL PROPERTIES; PHENYLENE RADICALS; ORGANIC POLYMERS; VINYL RADICALS; BINDING ENERGY; ABSORPTION SPECTRA}, Number = {19}, Pages = {14702-14705}, Publisher = {APS}, Title = {Excitons in poly(para-phenylenevinylene)}, Url = {http://link.aps.org/abstract/PRB/v50/p14702}, Volume = {50}, Year = {1994}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v50/p14702}} @article{chasteen:033709, Author = {S. V. Chasteen and J. O. Harter and G. Rumbles and J. C. Scott and Y. Nakazawa and M. Jones and H.-H Horhold and H. Tillman and S. A. Carter}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Eid = {033709}, Journal = {Journal of Applied Physics}, Keywords = {polymers; photovoltaic cells; current density; excitons; electron-hole recombination; charge exchange; electron mobility; time resolved spectra; photoluminescence; radiation quenching}, Number = {3}, Numpages = {10}, Pages = {033709}, Publisher = {AIP}, Title = {Comparison of blended versus layered structures for poly(p-phenylene vinylene)-based polymer photovoltaics}, Url = {http://link.aip.org/link/?JAP/99/033709/1}, Volume = {99}, Year = {2006}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/99/033709/1}} @conference{chen:62, Author = {Miao X. Chen and Erik Perzon and Mats R. Andersson and Magnus Bergrren}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Editor = {Ananth Dodabalapur}, Journal = {Organic Field-Effect Transistors III}, Location = {Denver, CO, USA}, Number = {1}, Pages = {62-68}, Publisher = {SPIE}, Title = {Thin film transistors and light-emitting diodes based on donor-acceptor-donor polymers}, Url = {http://link.aip.org/link/?PSI/5522/62/1}, Volume = {5522}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5522/62/1}} @article{chen:487, Author = {X. Linda Chen and Samson A. Jenekhe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Journal = {Applied Physics Letters}, Keywords = {semiconductor quantum wires; polymers; photoluminescence; radiation quenching; electric field effects; excitons}, Number = {4}, Pages = {487-489}, Publisher = {AIP}, Title = {Semiconducting polymer quantum wires}, Url = {http://link.aip.org/link/?APL/70/487/1}, Volume = {70}, Year = {1997}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/70/487/1}} @article{cherkasov:626, Author = {Yu. A. Cherkasov and E. L. Aleksandrova}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:29 -0600}, Journal = {Optics and Spectroscopy}, Keywords = {POLYMERS; CHARGE CARRIERS; TEMPERATURE DEPENDENCE; DIPOLES; QUANTUM EFFICIENCY; DONORS; ACCEPTORS}, Number = {5}, Pages = {626-630}, Publisher = {MAIK}, Title = {Low-temperature concentration photogeneration of charge carriers in polymer of donor--acceptor complexes}, Url = {http://link.aip.org/link/?OPS/68/626/1}, Volume = {68}, Year = {1990}, Bdsk-Url-1 = {http://link.aip.org/link/?OPS/68/626/1}} @article{Chou:2005, Abstract = {By using a sample of DNA-wrapped single-wall C nanotubes strongly enriched in the (6,5) nanotube, photoluminescence emissions obsd. at special excitation energy values were identified with specific mechanisms of phonon-assisted excitonic absorption and recombination processes assocd. with (6,5) nanotubes, including 1-phonon, 2-phonon, and some continuous-luminescence processes. Such detailed processes are not sep. identified in 3-dimensional semiconducting materials. A general theor. framework is presented to interpret the exptl. obsd. phonon-assisted processes in terms of excitonic states. [on SciFinder (R)]}, Author = {Chou, S. G. and Plentz, F. and Jiang, J. and Saito, R. and Nezich, D. and Ribeiro, H. B. and Jorio, A. and Pimenta, M. A. and Samsonidze, Ge. G. and Santos, A. P. and Zheng, M. and Onoa, G. B. and Semke, E. D. and Dresselhaus, G. and Dresselhaus, M. S.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {Physical Review Letters}, Keywords = {DNA wrapped carbon nanotube exciton recombination phonon assisted luminescence; resonance Raman DNA wrapped carbon nanotube}, Owner = {bittner}, Pages = {127402/1-127402/4}, Timestamp = {2006.01.02}, Title = {Phonon-Assisted Excitonic Recombination Channels Observed in DNA-Wrapped Carbon Nanotubes Using Photoluminescence Spectroscopy.}, Volume = {94}, Year = {2005}} @article{Clark:1995, Author = {Leigh B. Clark}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {J. Phys. Chem.}, Pages = {4466--4470}, Title = {Transition Moments of 2'-Deoxyadenosine}, Volume = {99}, Year = {1995}} @article{Clark:1994, Author = {Leigh B. Clark}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {J. Am. Chem. Soc.}, Pages = {5265--5270}, Title = {Electronic Spectra of Crystalline Guanosine: Transition Moment Directions of the Guanine Chromophore}, Volume = {116}, Year = {1994}} @article{Clark:1990, Author = {Leigh B. Clark}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {J. Phys. Chem.}, Pages = {2873--2879}, Title = {Electronic spectrum of the adenine chromophore}, Volume = {94}, Year = {1990}} @article{Clark:1977, Author = {Leigh B. Clark}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {J. Am. Chem. Soc.}, Pages = {3934}, Title = {Electronic Spectra of Crystalline 9-Ethylguanine and Guanine Hydrochloride}, Volume = {99}, Year = {1977}} @article{Clark:1965, Author = {Leigh B. Clark and Gary G. Peschel and Ignacio Tinoco}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {J. Phys. Chem.}, Pages = {3615}, Title = {Vapor Spectra and Heats of Vaporization of Some Purine and Pyrimidine Bases}, Volume = {116}, Year = {1965}} @article{claudio:9585, Author = {Gil C. Claudio and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; random processes; molecular configurations; Ising model; excitons}, Number = {20}, Pages = {9585-9593}, Publisher = {AIP}, Title = {Random growth statistics of long-chain single molecule poly-(p-phenylene vinylene)}, Url = {http://link.aip.org/link/?JCP/115/9585/1}, Volume = {115}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/115/9585/1}} @inbook{Claverie, Author = {P. Claverie}, Chapter = {Elaboration of Approximate Formulas for the Interaction betwen Large Molecules: Application in Organic Chemistry}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Editor = {Bernard Pullman}, Owner = {Arek Czader}, Pages = {69-306}, Publisher = {Wiley}, Timestamp = {2007.10.17}, Title = {Intermolecular Interactions - From Diatomic to Biopolymers.}, Year = {1978}} @article{Clelia:2005, Abstract = {Radiationless deactivation pathways of excited gas phase nucleobases were investigated using mass-selected femtosecond resolved pump-probe resonant ionization. By comparison between nucleobases and methylated species, in which tautomerism cannot occur, we can access intrinsic mechanisms at a time resolution never reported so far (80 fs). At this time resolution, and using appropriate substitution, real nuclear motion corresponding to active vibrational modes along deactivation coordinates can actually be probed. We provide evidence for the existence of a two-step decay mechanism, following a 267 nm excitation of the nucleobases. The time resolution achieved together with a careful zero time-delay calibration between lasers allow us to show that the first step does correspond to intrinsic dynamics rather than to a laser cross correlation. For adenine and 9-methyladenine a first decay component of about 100 fs has been measured. This first step is radically increased to 200 fs when the amino group hydrogen atoms of adenine are substituted by methyl groups. Our results could be rationalized according to the effect of the highly localized nature of the excitation combined to the presence of efficient deactivation pathway along both pyrimidine ring and amino group out-of-plane vibrational modes. These nuclear motions play a key role in the vibronic coupling between the initially excited pipi* and the dark npi* states. This seems to be the common mechanism that opens up the earlier phase of the internal conversion pathway which then, in consideration of the rather fast relaxation times observed, would probably proceed via conical intersection between the npi* relay state and high vibrational levels of the ground state. [on SciFinder (R)]}, Author = {Clelia, Canuel and Michel, Mons and Francois, Piuzzi and Benjamin, Tardivel and Iliana, Dimicoli and Mohamed, Elhanine}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:30 -0600}, Journal = {The Journal of Chemical Physics}, Owner = {bittner}, Pages = {074316}, Timestamp = {2006.06.06}, Title = {Excited states dynamics of DNA and RNA bases: characterization of a stepwise deactivation pathway in the gas phase}, Volume = {122}, Year = {2005}} @article{Clowney:1996, Author = {Lester Clowney and Shri C. Jain and A. R. Srinivasan and John Westbrook and Wilma K. Olson and Helen M. Berman}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {Journal of the American Chemical Society}, Pages = {509--518}, Title = {Geometric Parameters in Nucleic Acids: Nitrogenous Bases}, Volume = {118}, Year = {1996}} @article{Coalson83, Author = {R. D. Coalson and M. Karplus}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {J. Chem. Phys.}, Keywords = {WavePacket}, Pages = {6150}, Volume = {79}, Year = {1983}} @book{CohenTannoudji77, Author = {C. Cohen-Tannoudji and B. Diu and F. Laloe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Keywords = {QuantumMechanics}, Publisher = {Wiley-Interscience}, Title = {Quantum Mechanics}, Year = {1977}} @article{col92:1982, Author = {D. T. Colbert and W. H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = jcp, Pages = {1982}, Title = {A novel discrete variable representation for quantum mechanical reactive scattering via the {$S$}-matrix {K}ohn method.}, Volume = {96}, Year = {1992}} @article{Colistete00, Author = {R. Colistete and J. C. Fabris and N. Pinto-Neto}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {Phys. Rev. D}, Keywords = {Unknown - Cosmology}, Month = {September}, Pages = {083507}, Title = {Gaussian superpositions in scalar-tensor quantum cosmological models}, Volume = {62}, Year = {2000}} @article{Conwell:2004, Abstract = {A review. It has been widely considered that the wavefunction of an extra electron or hole on the base stack of a DNA mol. is confined to a single site, i.e., base or base pair. There is, however, a theorem that an extra carrier on a one-dimensional chain minimizes its energy by forming a large polaron, its wavefunction extended over a no. of sites. Thus it is expected, and calcns. show, that the wavefunction of an extra electron or hole on DNA is delocalized, even for an arbitrary base sequence. The hole wavefunction is centered on a guanine (G) because the HOMO of G is higher by many kT than that of the other bases. To understand the significance of this and how it affects transport, we begin by reviewing the exptl. data on electron and hole diffusion in soln. and drift in an elec. field in air or vacuum. The finding of Giese's group, that a hole moves by tunneling between Gs when there is a random sequence of bases with Gs within four sites of each other, can be reinterpreted as tunneling of the hole polaron from a position where it is centered on one G to a position where it is centered on another G. Further expts. show that if a G is followed by a series of four or more adenine-thymine pairs (A:Ts), a hole has some probability of hopping from G onto the bridge of As with thermal energy and then moving rapidly along the As almost unattenuated. Consistent with the idea of the hole being localized to one site, it was suggested that the motion along the As is nearest-neighbor hopping. We suggest that the motion along the As is polaron drift. Some evidence for this is the expt. of Kendrick and Giese which shows that a hole introduced on an A migrates through an (A:T)n sequence in a manner independent of n. We present a no. of addnl. arguments, some based on excitons and exciplexes in DNA, that an extra hole or electron propagates as a large polaron. The properties and the motion of a large polaron in DNA are calcd. with a simple tight-binding model. Addnl. evidence that an extra hole is not localized to one site comes from the excellent agreement with expt. of our calcns. based on the polaron model of the relative trap depths of G, GG, and GGG traps. The large polaron model can also account for the switch from tunneling to on-bridge propagation as the no. of A:Ts between the Gs goes beyond three. Including in the calcns. the solvent and counterions makes little change in the extent of the polaron but greatly increases its binding energy and has a strong drag effect on its mobility. For DNA in air or vacuum propagation may also be by large polarons, but more must be known, e.g., about disorder in a low-humidity environment and how the neg. charge on the backbone is compensated, before a definite conclusion can be reached. [on SciFinder (R)]}, Author = {Conwell, Esther.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {Topics in Current Chemistry}, Keywords = {review DNA electron transport polaron}, Owner = {bittner}, Pages = {73-101}, Timestamp = {2006.01.02}, Title = {Polarons and transport in DNA.}, Volume = {237}, Year = {2004}} @article{cor92:4115, Author = {G. C. Corey and D. Lemoine}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = jcp, Pages = {4115}, Title = {Pseudospectral method for solving the time-dependent {S}chr{\"o}dinger equation in spherical coordinates}, Volume = {97}, Year = {1992}} @article{cornil:842, Author = {J. Cornil and D. Beljonne and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {OLIGOMERS; THIOPHENE; POLYMERS; ABSORPTION SPECTRA; POLARONS}, Number = {2}, Pages = {842-849}, Publisher = {AIP}, Title = {Nature of optical transitions in conjugated oligomers. II. Theoretical characterization of neutral and doped oligothiophenes}, Url = {http://link.aip.org/link/?JCP/103/842/1}, Volume = {103}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/103/842/1}} @article{Cornil:2001, Author = {J. Cornil and D. Beljonne and J.-P. Calbert and J.-L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:31 -0600}, Journal = {Advanced Materials}, Pages = {1053}, Title = {Interchain Interactions in Organic $\pi$-Conjugated Materials: Impact on Electronic Structure, Optical Response, and Charge Transport}, Url = {http://www3.interscience.wiley.com/cgi-bin/fulltext/85004578/PDFSTART}, Volume = {13}, Year = {2001}, Bdsk-Url-1 = {http://www3.interscience.wiley.com/cgi-bin/fulltext/85004578/PDFSTART}} @article{cornil:139, Author = {J. Cornil and D. Beljonne and C. M. Heller and I. H. Campbell and B. K. Laurich and D. L. Smith and D. D. C. Bradley and K. M{\"u}llen and J. L. Br{\'e}das}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = {Chemical Physics Letters}, Number = {1-3}, Pages = {139-145}, Title = {Photoluminescence spectra of oligo-paraphenyllenevinylenes: a joint theoretical and experimental characterization}, Volume = {278}, Year = {1997}} @article{Cornil:1997, Abstract = {We present a joint theoretical and experimental characterization of the absorption and photoluminescence spectra of oligo-paraphenylenevinylenes containing from 2 to 5 phenylene rings. Attention is paid to the emission spectra and their vibronic progressions in order to shed light on the geometry relaxation phenomena in the lowest singlet excited state. The results indicate that the relaxation energy in the excited state increases with inverse chain length. For long conjugated chains, the relaxation energy of the bound electron-hole pair is extrapolated to be of the order of 0.14 eV and the most significant part of the geometry deformations are found to spread over a length of about 20 {\r{A}}.}, Author = {J. Cornil and D. Beljonne and C. M. Heller and I. H. Campbell and B. K. Laurich and D. L. Smith and D. D. C. Bradley K. M{\"u}llen and J.-L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = {Chem. Phys. Lett.}, Number = {1-3}, Pages = {139-145}, Title = {Photoluminescence spectra of oligo-paraphenyllenevinylenes: a joint theoretical and experimental characterization}, Url = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=HelpURL\&_file=doi.htm\&_acct=C000057616\&_version=1\&_urlVersion=0\&_userid=2502247\&md5=f8875f498a3cfc57f846dd0582aacd8a}, Volume = {278}, Year = {1997}, Bdsk-Url-1 = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=HelpURL%5C&_file=doi.htm%5C&_acct=C000057616%5C&_version=1%5C&_urlVersion=0%5C&_userid=2502247%5C&md5=f8875f498a3cfc57f846dd0582aacd8a}} @article{cornil:6615, Author = {J. Cornil and I. Gueli and A. Dkhissi and J. C. Sancho-Garcia and E. Hennebicq and J. P. Calbert and V. Lemaur and D. Beljonne and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymer blends; polymers; optical properties; excitons; charge transfer states; INDO calculations; configuration interactions; ground states}, Number = {14}, Pages = {6615-6623}, Publisher = {AIP}, Title = {Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization}, Url = {http://link.aip.org/link/?JCP/118/6615/1}, Volume = {118}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/6615/1}} @article{Cornil:1998, Author = {Cornil, J. and dos Santos, D. A. and Crispin, X. and Silbey, R. and Bredas, J. L.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Am. Chem. Soc.}, Number = {6}, Pages = {1289}, Title = {Influence of Interchain Interactions on the Absorption and Luminescence of Conjugated Oligomers and Polymers: A Quantum-Chemical Characterization}, Volume = {120}, Year = {1998}, Bdsk-File-1 = {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}} @article{cotlet:14343, Author = {Mircea Cotlet and Sadahiro Masuo and Guobin Luo and Johan Hofkens and Mark Van der Auweraer and Jan Verhoeven and Klaus Mullen and Xiaoliang Sunney Xie and Frans De Schryver}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = {Proceedings of the National Academy of Sciences of the United States of America}, Number = {40}, Pages = {14343-14348}, Publisher = {NAS}, Title = {Probing conformational dynamics in single donor-acceptor synthetic molecules by means of photoinduced reversible electron transfer}, Url = {http://www.pnas.org/cgi/content/full/101/40/14343}, Volume = {101}, Year = {2004}, Bdsk-Url-1 = {http://www.pnas.org/cgi/content/full/101/40/14343}} @article{cou04:9207, Author = {M. D. Coutinho-Neto and A. Viel and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = jcp, Pages = {9207--9210}, Title = {The ground state tunneling splitting of malonaldehyde: {A}ccurate full dimensional quantum dynamics calculations.}, Volume = {121}, Year = {2004}} @article{Crespo-Hernandez:2006, Author = {Carlos E. Crespo-Hernandez and Boiko Cohen and Bern Kohler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:32 -0600}, Journal = {Nature}, Pages = {E8}, Title = {Molecular spectroscopy: Complexity of excited-state dynamics in {DNA} (Reply)}, Url = {http://www.nature.com/nature/journal/v441/n7094/pdf/nature04904.pdf}, Volume = {441}, Year = {2006}, Bdsk-Url-1 = {http://www.nature.com/nature/journal/v441/n7094/pdf/nature04904.pdf}} @article{Crespo-Hernandez:2005, Author = {Carlos E. Crespo-Hernandez and B. Cohen and B. Kohler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Nature}, Pages = {1141}, Rating = {5}, Read = {Yes}, Title = {Base Stacking controls excited state dynamics in {A-T} {DNA}}, Url = {http://www.nature.com/doifinder/10.1038/nature03933}, Volume = {436}, Year = {2005}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://www.nature.com/doifinder/10.1038/nature03933}} @article{Creutz:1994, Author = {Michael Creutz and Ivan Horvgath}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Nuclear Physics B (Proc. Supp.)}, Pages = {583}, Title = {Surface modes and chiral symmetry ({W}ilson Fermions in a box)}, Volume = {34}, Year = {1994}, Bdsk-File-1 = {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}} @article{Cuniberti:2002, Author = {G. Cuniberti and L. Carco and D. Porath and C. Dekker}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Journal = {Phys. Rev. B}, Keywords = {DNA}, Number = {65}, Pages = {241314}, Title = {Backbone induced semiconducting behavior in short DNA wires}, Year = {2002}} @unpublished{Czader:2006, Author = {Arek Czader and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Note = {in preparation}, Title = {{TDDFT} calculations of the excitonic states and interbase electronic couplings in {DNA} helices.}, Year = {2006}} @article{Davies:2004, Author = {O. R. Davies and J. E. Ingelsfield}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Journal = {Phys. Rev. B}, Keywords = {DNA}, Pages = {195110}, Title = {Embedding methods for conductance in DNA}, Volume = {69}, Year = {2004}} @book{Davydow:1962, Author = {Aleksandr Sergeevich Davydov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Publisher = {McGraw-Hill}, Title = {Theory of Molecular Excitons}, Year = {1971}} @article{Dee:1974, Abstract = {A theor. treatment of migration of electrons, holes, and singlet and triplet electronic excitations in ideal DNA helical chains in presented. A localized model was adopted, in which charge and excitation migration is considered to take place through discrete site to neighbor site transfer neglecting long-range quantum mechanical coherence effects. Accordingly a probability function to describe the location of a charge or excitation was introduced. A stochastic equation was developed to describe the time evolution of this function and hence the av. behavior of the migrating species. The formalism permits the introduction of base sequencing information through the use of probabilities for occurrence of each of the 16 distinct kinds of nearest-neighbor pairs of bases in a single strand. Migration in a nonuniform but nonrandom DNA chain can then be treated to within a perturbation approxn. The fundamental base-to-base charge and excitation transfer parameters which enter the stochastic equation are calcd. for each migrating species and possible pair of neighbor bases using SCF-LCAO MO methods without configuration interaction. A noteworthy feature is the much larger magnitude of the triplet excitation exchange term in this work compared to previous work, leading to relatively large transfer coeffs. Implications of the calcd. transfer coeffs. for excitation trapping are examd. and are consistent with expt. Numerical results for the time dependence of the probability function and for diffusion coeffs. for migrating species in DNA's of biophys. interest are presented. The general aspect of these results is similar to that for a uniform DNA chain, but some important differences of detail are present. The mobility of electrons and holes moving along the DNA chain and the resultant electrical conductivity along the chain axis are estd. and are considerably larger than in org. crystals. [on SciFinder (R)]}, Author = {Dee, Diana and Baur, M. E.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Journal = {Journal of Chemical Physics}, Keywords = {DNA electron hole exciton migration; quantum mechanics DNA}, Owner = {bittner}, Pages = {541-60}, Timestamp = {2006.01.02}, Title = {Charge and excitation migration in DNA chains.}, Volume = {60}, Year = {1974}} @article{Dekker:2001, Author = {C. Dekker and M. A. Ratner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Journal = {Physics World}, Keywords = {DNA}, Pages = {29}, Title = {Electronic properties of DNA}, Volume = {14}, Year = {2001}} @article{Delaney:2003, Author = {S. Delaney and J. K. Barton}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:33 -0600}, Journal = {J. Org. Chem}, Keywords = {DNA}, Number = {6475}, Title = {Long range DNA charge transport}, Volume = {68}, Year = {2003}} @article{demello:421, Author = {J. C. deMello and J. J. M. Halls and S. C. Graham and N. Tessler and R. H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {Physical Review Letters}, Keywords = {electrochemical devices; light emitting diodes; polymers; luminescent devices; electric field gradient; electron affinity; electroabsorption}, Number = {2}, Pages = {421-424}, Publisher = {APS}, Title = {Electric Field Distribution in Polymer Light-Emitting Electrochemical Cells}, Url = {http://link.aps.org/abstract/PRL/v85/p421}, Volume = {85}, Year = {2000}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v85/p421}} @article{Dempster77, Author = {A. P. Dempster and N. M. Laird and D. B. Rubin}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {J. Roy. Stat. Soc. Ser. B}, Keywords = {Mathematics}, Title = {Maximum Likelihood from Incomplete Data via the EM algorithm}, Volume = {29}, Year = {1977}} @article{Derrickson:2006, Author = {Sean W. Derrickson and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Phys. Chem. A}, Pages = {5333}, Title = {Self-consistent field quantum hydrodynamic approach for molecular clusters}, Url = {http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i16/pdf/jp055889q.pdf}, Volume = {110}, Year = {2006}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://pubs.acs.org/cgi-bin/article.cgi/jpcafh/2006/110/i16/pdf/jp055889q.pdf}} @article{derrickson:054107, Author = {Sean W. Derrickson and Eric R. Bittner and Brian K. Kendrick}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Eid = {054107}, Journal = {The Journal of Chemical Physics}, Keywords = {chemical reactions; quantum theory; hydrodynamics; reaction kinetics theory; quantum chemistry; least squares approximations; viscosity; probability}, Number = {5}, Numpages = {9}, Pages = {054107}, Publisher = {AIP}, Title = {Quantum hydrodynamics: Capturing a reactive scattering resonance}, Url = {http://link.aip.org/link/?JCP/123/054107/1}, Volume = {123}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/054107/1}} @article{Derrickson:2005, Author = {Sean W. Derrickson and Eric R. Bittner and Brian K. Kendrick}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.he}, Pages = {054107}, Title = {Quantum hydrodynamics: capturing a reactive scattering resonance}, Volume = {123}, Year = {2005}, Bdsk-File-1 = {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}} @article{Dey98, Author = {B. K. Dey and A. Askar and H. Rabitz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {J. Phys. Chem.}, Keywords = {Bohmian}, Month = {November}, Number = {20}, Pages = {8770}, Title = {Multidimensional wave packet dynamics within the fluid dynamical formulations of the Schr{\"o}dinger equation}, Volume = {109}, Year = {1998}} @article{Dey99, Author = {B. K. Dey and B. M. Deb}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {April}, Number = {13}, Pages = {6229}, Title = {Direct {\em ab initio} calculation of ground-state electronic energies and densities for atoms and molecules through a time-dependent single hydrodynamical equation}, Volume = {110}, Year = {1999}} @article{Dey00, Author = {B. K. Dey and H. Rabitz and A. Askar}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {Phys. Rev. A}, Keywords = {Bohmian}, Month = {March}, Pages = {043412}, Title = {Optical control of molecular motion expressed through quantum fluid dynamics}, Volume = {61}, Year = {2000}} @article{Dietz:2003, Author = {Klaus Dietz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:34 -0600}, Journal = {J. of Physics A: math. gen.}, Keywords = {Quantum Relaxation, Lindblad}, Number = {20}, Pages = {5595-5603}, Title = {On the parameterization of Lindblad equations}, Volume = {36}, Year = {2003}} @article{Dilthey02, Author = {S. Dilthey and B. Mehilg and G. Stock}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Phase Space - Semiclassical}, Month = {July}, Pages = {69}, Title = {Classical phase-space analysis of vibronically coupled systems}, Volume = {116}, Year = {2002}} @book{Dirac58, Address = {Oxford, NY}, Author = {P. A. M. Dirac}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Edition = {4th}, Keywords = {Mathematics - Mathematics}, Publisher = {Oxford University Press}, Title = {The Principles of Quantum Mechanics}, Year = {1958}} @article{Dittrich:2001, Author = {P. Dittrich and F. Malvezzi-Campeggi and M. Jahnz and P. Schwille}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Bio. 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Kafafi and Denis Fichou}, Journal = {Organic Photovoltaics II}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {85-93}, Publisher = {SPIE}, Title = {Hybrid polymer-based photovoltaics via carbon nanotubes and electrostatic self-assembly}, Url = {http://link.aip.org/link/?PSI/4465/85/1}, Volume = {4465}, Year = {2002}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/4465/85/1}} @article{Dong:2002, Author = {F. Dong and R. E. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Journal = {Science}, Pages = {1227--1230}, Title = {Vibrational Transition Moment Angles in Isolated Biomolecules: A Structural Tool}, Volume = {298}, Year = {2002}} @article{Donoso00a, Author = {A. Donoso and D. Kohen and C. C. Martens}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {May}, Number = {17}, Pages = {7345}, Title = {Simulation of nonadiabatic wave packet interferometry using classical trajectories}, Volume = {112}, Year = {2000}} @article{Donoso02, Author = {A. Donoso and C. C. Martens}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {June}, Number = {24}, Pages = {10598}, Title = {Solution of phase space diffusion equations using interacting trajectory ensembles}, Volume = {116}, Year = {2002}} @article{Donoso01, Author = {A. Donoso and C. C. Martens}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:35 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Phase Space - Semiclassical}, Month = {November}, Number = {22}, Pages = {223202}, Title = {Quantum Tunneling Using Entangled Classical Trajectories}, Volume = {87}, Year = {2001}} @article{Donoso00, Author = {A. Donoso and C. C. Martens}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {March}, Pages = {3980}, Title = {Semiclassical multistate Liouville dynamics in the adiabatic representation}, Volume = {112}, Year = {2000}} @article{Douhal:1995, Author = {A. Douhal and S. K. Kim and A. H. Zewail}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = {Nature}, Pages = {260}, Title = {Femtosecond molecular dynamics ofg tautomerization in model base pairs}, Url = {http://www.nature.com/nature/journal/v378/n6554/abs/378260a0.html}, Volume = {378}, Year = {1995}, Bdsk-Url-1 = {http://www.nature.com/nature/journal/v378/n6554/abs/378260a0.html}} @article{Du1988xz, Author = {H. Du and R. A. Fuh and A. Corkan and J. S Lindsey}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = {Photochemistry and Photobiology}, Pages = {141-142}, Title = {PhotochemCAD: A computer-aided design and research tool in photochemistry}, Volume = {68}, Year = {1988}} @article{Dumaz:1997, Author = {N. Dumaz and H. J. Van Kranen and A. De Vries and R. J. W. Berf and P W. Wester and C. F. Van Kreijl and A. Sarasin and L. Daya-Grosjean and F. R. De Gruijl}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Carcinogenesis}, Number = {5}, Pages = {897}, Title = {The role of UV-B light in skin carcinogenesis through the analysis of p53 mutations in squamous cell carcinomas of hairless mice}, Url = {http://carcin.oxfordjournals.org/cgi/content/abstract/18/5/897}, Volume = {18}, Year = {1997}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://carcin.oxfordjournals.org/cgi/content/abstract/18/5/897}} @article{edman:115212, Author = {Ludvig Edman and Melissa A. Summers and Steven K. Buratto and Alan J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Eid = {115212}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {gold; lithium compounds; carbon compounds; fluorine compounds; conducting polymers; electroluminescent devices; cells (electric); electroluminescence; photoluminescence; radiation quenching; energy gap; organic semiconductors; charge injection; surface charging; electrochemistry; electrical contacts; thin film transistors; field effect transistors; phase transformations; MIM devices}, Number = {11}, Numpages = {7}, Pages = {115212}, Publisher = {APS}, Title = {Polymer light-emitting electrochemical cells: Doping, luminescence, and mobility}, Url = {http://link.aps.org/abstract/PRB/v70/e115212}, Volume = {70}, Year = {2004}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v70/e115212}} @article{eha96:8865, Author = {M. Ehara and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = jcp, Pages = {8865}, Title = {Multiconfiguration time-dependent {H}artree ({MCTDH}) study on the rotational and diffractive inelastic molecule-surface scattering.}, Volume = {105}, Year = {1996}} @article{Eisinger:1968, Author = {J. Eisinger and R. G. Shulman}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = {Science}, Pages = {1311}, Volume = {161}, Year = {1968}} @article{Ekert91, Author = {A. K. Ekert}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:36 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Unknown - Cosmology}, Month = {August}, Pages = {661}, Title = {Quantum Cryptography Based on Bell's Theorem}, Volume = {67}, Year = {1991}} @article{Eley:1962, Author = {D. D. Eley and D. I. Spivey}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Trans. Faraday Soc.}, Pages = {411}, Title = {Semiconductivity of organic substances. Part 9.---Nucleic acid in the dry state}, Url = {http://xlink.rsc.org.ezproxy.lib.uh.edu/?DOI=TF9625800411}, Volume = {58}, Year = {1962}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://xlink.rsc.org.ezproxy.lib.uh.edu/?DOI=TF9625800411}} @article{Emanuele:2005a, Abstract = {The singlet excited states of the model DNA duplex (dA)10(dT)10 are studied. Calcns. are performed in the exciton theory framework. Mol. dynamics calcns. provide the duplex geometry. The dipolar coupling is detd. using at. transition charges. The monomer transition energies are simulated by Gaussian functions resembling the absorption bands of nucleosides in aq. solns. Most of the excited states are found to be delocalized over at least two bases and result from the mixing of different monomer states. Their properties are only weakly affected by conformational changes of the double helix. On av., the highest oscillator strength is carried by the upper eigenstates. The duplex absorption spectra are shifted a few nanometers to higher energies with respect to the spectra of noninteracting monomers. The states with larger spatial extent are located close to the max. of the absorption spectrum. [on SciFinder (R)]}, Author = {Emanuele, Emanuela and Markovitsi, Dimitra and Millie, Philippe and Zakrzewska, Krystyna.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {ChemPhysChem}, Owner = {bittner}, Pages = {1387-1393}, Read = {Yes}, Timestamp = {2006.01.02}, Title = {{UV} spectra and excitation delocalization in {DNA}: Influence of the spectral width}, Volume = {6}, Year = {2005}, Bdsk-File-1 = {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}} @article{evans:1244, Author = {D. F. Evans}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:37 -0600}, Journal = {The Journal of Chemical Physics}, Number = {6}, Pages = {1244-1246}, Publisher = {AIP}, Title = {``Donor-Acceptor'' Complex Formation by High Polymers}, Url = {http://link.aip.org/link/?JCP/24/1244/1}, Volume = {24}, Year = {1956}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/24/1244/1}} @article{fan95:1944, Author = {J.-Y. Fang and H. Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:37 -0600}, Journal = jcp, Pages = {1944}, Title = {Multiconfiguration time-dependent {H}artree studies of the {Cl$_2$Ne} vibrational predissociation dynamics.}, Volume = {102}, Year = {1995}} @article{fan95:201, Author = {J.-Y. Fang and H. Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:37 -0600}, Journal = jms, Pages = {201}, Title = {Quantum dynamics within the multiconfiguration time-dependent {H}artree approximation.}, Volume = {341}, Year = {1995}} @article{fan95:341, Author = {J.-Y. Fang and H. Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:37 -0600}, Journal = cpl, Pages = {341}, Title = {Four-dimensional quantum dynamics of the {CH$_3$I/MgO} photodissociation.}, Volume = {235}, Year = {1995}} @article{fan94:5831, Author = {J.-Y. Fang and H. Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:38 -0600}, Journal = jcp, Pages = {5831}, Title = {Multiconfiguration time-dependent {H}artree studies of the {CH$_3$I/MgO} photodissociation dynamics.}, Volume = {101}, Year = {1994}} @article{Feit82, Author = {M. D. Feit and J. A. Fleck, Jr. and A. 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(N.Y.)}, Keywords = {Cosmology - QuantumMechanics}, Pages = {118}, Volume = {24}, Year = {1963}} @article{Fink:1999, Author = {H.-W. Fink and S. C.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:38 -0600}, Journal = {Nature}, Keywords = {DNA}, Pages = {407}, Title = {Electrical Conduction through DNA molecules}, Volume = {398}, Year = {1999}} @article{Forrest:2004, Author = {S. F. 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Gindensperger and C. Meier and J. A. Beswick}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:42 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {January}, Title = {Quantum-classical dynamics including continuum states using quantum trajectories}, Volume = {116}, Year = {2002}} @article{Gindensperger00, Author = {E. Gindensperger and C. Meier and J. A. Beswick}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:42 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Unknown - QTM - Bohm Theory - Bohmian}, Month = {December}, Number = {21}, Pages = {9369}, Title = {Mixing quantum and classical dynamics using Bohmian trajectories}, Volume = {113}, Year = {2000}} @article{Gindensperger02a, Author = {E. Gindensperger and C. Meier and J. A. Beswick and M. C. Heitz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:42 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {June}, Number = {23}, Pages = {10051}, Title = {Quantum-classical description of rotational diffractive scattering using Bohmian trajectories: Comparison with full quantum wave packet results}, Volume = {116}, Year = {2002}} @book{Giulini96, Author = {D. Giulini and E. Joos and C. Kiefer and J. Kopsch and I.-O Stamatescu and and H.D. Zeh}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Keywords = {Cosmology}, Publisher = {Springer}, Title = {Decoherence and the Appearance of a Classical World in Quantum Theory}, Year = {1996}} @conference{gong:82, Author = {Xiong Gong and Daniel Moses and Alan J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Journal = {Organic Light-Emitting Materials and Devices VIII}, Location = {Denver, CO, USA}, Number = {1}, Pages = {82-88}, Publisher = {SPIE}, Title = {White electrophosphorescence from semiconducting polymer blends}, Url = {http://link.aip.org/link/?PSI/5519/82/1}, Volume = {5519}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5519/82/1}} @conference{gopal:593813, Author = {A. Gopal and M. Drees and R. M. Davis and J. R. Heflin}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Eid = {593813}, Journal = {Organic Photovoltaics VI}, Location = {San Diego, CA, USA}, Number = {1}, Numpages = {10}, Pages = {593813}, Publisher = {SPIE}, Title = {Modelling of external quantum efficiency spectra as a function of varying P3OT thickness in P3OT-C[sub 60] polymer photovoltaic devices}, Url = {http://link.aip.org/link/?PSI/5938/593813/1}, Volume = {5938}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5938/593813/1}} @article{Gottesman00, Author = {D. Gottesman and H. Lo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Journal = {Phys. Today}, Keywords = {Cosmology}, Pages = {22}, Volume = {53}, Year = {2000}} @article{granstrom:257, Author = {M. A. Granstrom and K. A. Petritsch and A . Arais and A. Lux and M. R. Andersson and R H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Journal = {Nature}, Pages = {257}, Rating = {4}, Read = {Yes}, Title = {Laminated fabrication of polymeric photovoltaic diodes}, Volume = {395}, Year = {1998}} @article{gray:2563, Author = {Tomoko Gray and Cynthia Buenviaje and Rene M. Overney and Samson A. Jenekhe and Lixin Zheng and Alex K. Y. Jen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Journal = {Applied Physics Letters}, Keywords = {polymer films; organic semiconductors; optical polymers; electroluminescence; glass transition; rheology; atomic force microscopy; photoluminescence}, Number = {13}, Pages = {2563-2565}, Publisher = {AIP}, Title = {Nanorheological approach for characterization of electroluminescent polymer thin films}, Url = {http://link.aip.org/link/?APL/83/2563/1}, Volume = {83}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/83/2563/1}} @article{Grebneva:1994, Abstract = {A mechanism is proposed of potential changes to DNA after UV irradn. It consists in the changes of tautomer of nucleotide bases induced by hydrogen atom transitions in the first and second H-bonds in G-C pairs. The reason for such transitions are strong at. vibrations induced by electronic excitation energy into heat transition and also protons excitation. The probability of different lengthening of the h-b-l bond length from equil. one are estd. for two different temps. of a small fragment. The possibility of formation of a proton exciton on the DNA fragment consisting only of G-C pairs is demonstrated. The dispersion law of proton excitation and its group velocity are obtained. The role of such quasiparticles in potential mutation formation is discussed as soon as the origin of neighbor effects, i.e., the degree of mutation ability of a given nucleotide due to the nature of neighboring nucleotides. [on SciFinder (R)]}, Author = {Grebneva, E. A.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Journal = {Molekulyarnaya Biologiya (Moscow)}, Keywords = {UV DNA mutation}, Owner = {bittner}, Pages = {805-12}, Timestamp = {2006.01.02}, Title = {The irradiation of DNA molecule: the potential changes and mutations.}, Volume = {28}, Year = {1994}} @conference{gregg:31, Author = {Brian A. Gregg and Suzanne Ferrere and Francois Pichot}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:43 -0600}, Editor = {Zakya H. Kafafi and Denis Fichou}, Journal = {Organic Photovoltaics II}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {31-42}, Publisher = {SPIE}, Title = {Interfacial processes in organic-based solar cells}, Url = {http://link.aip.org/link/?PSI/4465/31/1}, Volume = {4465}, Year = {2002}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/4465/31/1}} @article{Griffiths93, Author = {R. B. Griffiths}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Cosmology}, Month = {April}, Number = {15}, Pages = {1993}, Title = {Consistent Interpretation of Quantum Mechanics Using Quantum Trajectories}, Volume = {70}, Year = {1993}} @article{Griffiths84, Author = {R. B. Griffiths}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {J. Stat. Phys.}, Keywords = {Cosmology}, Pages = {219}, Volume = {36}, Year = {1984}} @article{Griffiths84a, Author = {R. B. Griffiths}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {J. Stat. Phys.}, Keywords = {- Cosmology}, Pages = {219}, Volume = {36}, Year = {1984}} @article{Grimsdale:2002, Abstract = {The emission properties of polyindenofluorenes with various proportions of straight- and branched-chain alkyl substituents have been compared. The polymer with straight octyl substituents shows green emission due to formation of aggregates, while the polymer with branched 2-ethylhexyl substituents shows blue emission. Studies of the film morphology show the presence of ordered structures due to -stacking of the polymer chains for the octyl-substituted polymer, whereas the polymer with branched side-chains shows no such order. Copolymers show intermediate behavior. A clear correlation is established between the degree of straight-chain alkyl substitution, the formation of ordered structures in the films, and the amount of long wavelength emission in the solid-state spectra.}, Author = {A .C. Grimsdale and P. Lecl{\`e}re and R. Lazzaroni and J. D. MacKenzie and C. Murphy and S. Setayesh and C. Silva and R. H. Friend and K. M{\"u}llen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Advanced Functional Materials}, Keywords = {Aggregation * Conjugated polymers * Electroluminescence * Structure-property relationships}, Number = {10}, Pages = {729-733}, Title = {Correlation Between Molecular Structure, Microscopic Morphology, and Optical Propertiesof Poly(tetraalkylindenofluorene)s}, Url = {http://www3.interscience.wiley.com/cgi-bin/abstract/99018450/ABSTRACT}, Volume = {12}, Year = {2002}, Bdsk-Url-1 = {http://www3.interscience.wiley.com/cgi-bin/abstract/99018450/ABSTRACT}} @article{gro04:4585, Author = {E. V. Gromov and A. B. Trofimov and N. M. Vitkovskaya and H. K{\"o}ppel and J. Schirmer and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = jcp, Pages = {4585}, Title = {Theoretical study of excitations in furan: {S}pectra and molecular dynamics}, Volume = {121}, Year = {2004}} @article{Gruijl:2000, Author = {F. R. De Gruijl}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Methods Enzymol.}, Keywords = {DNA photo}, Pages = {359-366}, Title = {Photocarcinogenesis: UVA vs. UVB,}, Volume = {319}, Year = {2000}} @article{guha, Author = {S. Guha and J. D. Rice and Y. T. Yau and C. M. Martin and M. Chandrasekhar and H. R. Chandrasekhar and R. Guentner and P. S. de Freitas and U. Scherf}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Phys. Rev. B}, Pages = {125204}, Volume = {67}, Year = {2003}} @article{Gulotta:1991, Abstract = {IR vibration CD (VCD) has been obsd. for a no. of polynucleotides in buffered aq. soln. in the carbonyl stretching vibrations of the nucleotide bases (1550-1750 cm-1), as well as the phosphate backbone stretching region (1050-1150 cm-1). Both these regions are sensitive toward conformational changes of the DNA models. The VCD features in the C:O stretching vibrations have been reproduced computationally, using a simple exciton formalism. [on SciFinder (R)]}, Author = {Gulotta, M. and Zhong, W. and Goss, D. J. and Votavova, H. and Diem, M.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Special Publication - Royal Society of Chemistry}, Keywords = {IR vibrational CD DNA}, Owner = {bittner}, Pages = {135-6}, Timestamp = {2006.01.02}, Title = {Infrared (vibrational) CD of DNA models.}, Volume = {94}, Year = {1991}} @article{Gustavsson:2002, Author = {Thomas Gustavsson and Alexei Sharonov and Dimitra Markovitsi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:44 -0600}, Journal = {Chemical Physics Letters}, Number = {3-4}, Pages = {195--200}, Volume = {351}, Year = {2002}} @article{Gutierrez:2005, Author = {R. Gutierrez and S. Mandal and G. Cuniberti}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Phys. Rev. B}, Pages = {235116}, Title = {Dissipative effects in the electronic transport through DNA molecular wires}, Url = {http://link.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v71/e235116}, Volume = {71}, Year = {2005}, Bdsk-Url-1 = {http://link.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v71/e235116}} @article{Habib90, Author = {S. Habib}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Phys. Rev. D}, Keywords = {Cosmology}, Month = {October}, Pages = {2566}, Title = {Classical limit in quantum cosmology: Quantum mechanics and the Wigner function}, Volume = {42}, Year = {1990}} @article{hagler:10968, Author = {T. W. Hagler and K. Pakbaz and A. J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {POLYMERS; PHOTOLUMINESCENCE; MODULATION; ELECTRO \&\#150; OPTICAL EFFECTS; ANISOTROPY; POLARIZATION; ABSORPTION SPECTRA; EXCITED STATES; WAVE FUNCTIONS; OPTICAL PROPERTIES; ELECTRIC FIELD EFFECTS; ONE \&\#150; DIMENSIONAL SYSTEMS}, Number = {16}, Pages = {10968-10975}, Publisher = {APS}, Title = {Polarized-electroabsorption spectroscopy of a soluble derivative of poly(p-phenylenevinylene) oriented by gel processing in polyethylene: Polarization anisotropy, the off-axis dipole moment, and excited-state delocalization}, Url = {http://link.aps.org/abstract/PRB/v49/p10968}, Volume = {49}, Year = {1994}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v49/p10968}} @article{hagler:8652, Author = {T. W. Hagler and K. Pakbaz and K. F. Voss and A. J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {POLYMERS; PROCESS SOLUTIONS; GELS; ORDERED SYSTEMS; AUGMENTATION; MOLECULAR ORIENTATION; PROBES; PHOTOLUMINESCENCE; ABSORPTION; ANISOTROPY; NONLINEAR OPTICS; ELECTRONIC STRUCTURE}, Number = {16}, Pages = {8652-8666}, Publisher = {APS}, Title = {Enhanced order and electronic delocalization in conjugated polymers oriented by gel processing in polyethylene}, Url = {http://link.aps.org/abstract/PRB/v44/p8652}, Volume = {44}, Year = {1991}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v44/p8652}} @article{Halliwell99, Author = {J. J. Halliwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Phys. Rev. D}, Keywords = {Cosmology}, Month = {October}, Pages = {10531}, Title = {Somewhere in the universe: Where is the information stored when histories decohere}, Volume = {60}, Year = {1999}} @article{Halliwell99a, Author = {J. J. Halliwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Cosmology}, Month = {September}, Number = {13}, Pages = {2481}, Title = {Decoherent Histories and the Emergent Classicality of Local Densities}, Volume = {83}, Year = {1999}} @article{Halliwell98, Author = {J. J. Halliwell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Phys. Rev. D}, Keywords = {Bohmian - Cosmology}, Month = {October}, Pages = {205015}, Title = {Decoherent histories and hydrodynamic equations}, Volume = {58}, Year = {1998}} @article{halls:5721, Author = {J. J. M. Halls and J. Cornil and D. A. dos Santos and R. Silbey and D.-H. Hwang and A. B. Holmes and J. L. Bredas and R. H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:45 -0600}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {conducting polymers; interface states; charge transfer states; charge exchange; excited states; excitons; luminescence}, Number = {8}, Pages = {5721-5727}, Publisher = {APS}, Title = {Charge- and energy-transfer processes at polymer/polymer interfaces: A joint experimental and theoretical study}, Url = {http://link.aps.org/abstract/PRB/v60/p5721}, Volume = {60}, Year = {1999}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v60/p5721}} @article{halls:3120, Author = {J. J. M. Halls and K. Pichler and R. H. Friend and S. C. Moratti and A. B. Holmes}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = {Applied Physics Letters}, Keywords = {POLYMERS; FULLERENES; HETEROJUNCTIONS; PHOTOVOLTAIC EFFECT; QUANTUM EFFICIENCY; SOLAR CELLS; EXCITONS; DIFFUSION; DISSOCIATION}, Number = {22}, Pages = {3120-3122}, Publisher = {AIP}, Title = {Exciton diffusion and dissociation in a poly(p-phenylenevinylene)/C[sub 60] heterojunction photovoltaic cell}, Url = {http://link.aip.org/link/?APL/68/3120/1}, Volume = {68}, Year = {1996}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/68/3120/1}} @article{halls:498, Author = {J. J. M. Halls and C. A. Walsh and N. C. Greenham and E. A. Marseglia and R. H. Friend and S. C. Moratti and A. B. Holmes}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = {Nature}, Pages = {498}, Volume = {376}, Year = {1995}} @article{ham94:5623, Author = {A. D. Hammerich and U. Manthe and R. Kosloff and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = jcp, Pages = {5623}, Title = {Time-Dependent Photodissociation of Methyl Iodide with five active modes}, Volume = {101}, Year = {1994}} @inbook{HammesSchiffer98, Author = {S. Hammes-Schiffer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Keywords = {ChemPhys}, Pages = {73-119}, Publisher = {JAI Press Inc.}, Title = {Advances in Classical Trajectory Methods}, Year = {1998}} @article{HammesSchiffer94, Author = {S. Hammes-Schiffer and J. C. Tully}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = {J. Chem. Phys.}, Keywords = {ChemPhys}, Pages = {4657}, Volume = {101}, Year = {1994}} @book{Hammond94, Address = {River Edge, NJ}, Author = {B. L. Hammond and W. A. Lester and P. J. Reynolds}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Keywords = {Mathematics - Mathematics}, Publisher = {World Scientific Publishing Co. Pte. Ltd.}, Series = {World Scientific Lecture and Cousre Notes in Chemistry}, Title = {Monte Carlo Methods in Ab Initio quantum chemistry}, Volume = {1}, Year = {1994}} @article{harigaya:13676, Author = {Kikuo Harigaya}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {FULLERENES; ORGANIC POLYMERS; LATTICE PARAMETERS; ENERGY \&\#150; LEVEL DENSITY; POLARONS; ABSORPTION SPECTRA; NUMERICAL ANALYSIS; DIMERIZATION; CARBON}, Number = {23}, Pages = {13676-13684}, Publisher = {APS}, Title = {Lattice distortion and energy-level structures in doped C[sub 60] and C[sub 70] molecules studied with the extended Su-Schrieffer-Heeger model: Polaron excitations and optical absorption}, Url = {http://link.aps.org/abstract/PRB/v45/p13676}, Volume = {45}, Year = {1992}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v45/p13676}} @article{har04:3929, Author = {R. van Harrevelt and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = jcp, Pages = {3929}, Title = {Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of {H}$_2$ on Cu(100).}, Volume = {121}, Year = {2004}} @article{har04:5623, Author = {R. van Harrevelt and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = jcp, Pages = {5623}, Title = {Degeneracy in discrete variable representations: General considerations and applications to the multiconfigurational time-dependent Hartree approach.}, Volume = {121}, Year = {2004}} @article{har05:064106, Author = {Rob van Harrevelt and Uwe Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:46 -0600}, Journal = jcp, Pages = {064106}, Title = {Multidimensional time-dependent discrete variable representations in multiconfiguration Hartree calculations.}, Volume = {123}, Year = {2005}} @article{Harriman88, Author = {J. E. Harriman}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {May}, Number = {10}, Pages = {6399}, Title = {Some Properties of the Husimi function}, Volume = {88}, Year = {1988}} @article{harrison:1881, Author = {N. T. Harrison and G. R. Hayes and R. T. Phillips and R. H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = {Physical Review Letters}, Keywords = {POLYMERS; EXCITONS; QUANTUM EFFICIENCY; PHOTOLUMINESCENCE; DECAY; ABSORPTION; OXIDATION}, Number = {9}, Pages = {1881-1884}, Publisher = {APS}, Title = {Singlet Intrachain Exciton Generation and Decay in Poly (p-phenylenevinylene)}, Url = {http://link.aps.org/abstract/PRL/v77/p1881}, Volume = {77}, Year = {1996}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v77/p1881}} @article{Haugeneder:2002, Abstract = {We study the exciton dynamics in ladder-type poly(p-phenylene) (LPPP) containing aggregate states under high electric field conditions. Time-resolved emission spectroscopy reveals a different dissociation behaviour of S1-intrachain excitons as compared to excitons located in aggregate states. No acceleration of the decay of aggregate excitons due to field-induced dissociation is found for electric fields up to 2 $\times10^6$ V/cm. The time-integrated photoluminescence quenching does not exhibit a strong spectral dependence and is completely due to the dissociation of initially excited S1-intrachain excitons.}, Author = {A. Haugeneder and U. Lemmer and U. Scherf}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = {Chem. Phys. Lett.}, Pages = {354-358}, Title = {Exciton dissociation dynamics in a conjugated polymer containing aggregate states}, Url = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=ArticleURL\&_udi=B6TFN-44PVP83-4\&_user=2502247\&_coverDate=01%2F17%2F2002\&_alid=454123792\&_rdoc=1\&_fmt=summary\&_orig=search\&_cdi=5231\&_sort=d\&_docanchor=\&view=c\&_acct=C000057616\&_version=1\&_urlVersion=0\&_userid=2502247\&md5=c0e7015f92803f765ae52137021ca25c}, Volume = {5-6}, Year = {2002}, Bdsk-Url-1 = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=ArticleURL%5C&_udi=B6TFN-44PVP83-4%5C&_user=2502247%5C&_coverDate=01/17/2002%5C&_alid=454123792%5C&_rdoc=1%5C&_fmt=summary%5C&_orig=search%5C&_cdi=5231%5C&_sort=d%5C&_docanchor=%5C&view=c%5C&_acct=C000057616%5C&_version=1%5C&_urlVersion=0%5C&_userid=2502247%5C&md5=c0e7015f92803f765ae52137021ca25c}} @article{haugeneder:15346, Author = {A. Haugeneder and M. Neges and C. Kallinger and W. Spirkl and U. Lemmer and J. Feldmann and U. Scherf and E. Harth and A. Gugel and K. Mullen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {conducting polymers; photoluminescence; fullerene devices; polymer blends; excitons; time resolved spectra; composite materials; radiation quenching}, Number = {23}, Pages = {15346-15351}, Publisher = {APS}, Title = {Exciton diffusion and dissociation in conjugated polymer/fullerene blends and heterostructures}, Url = {http://link.aps.org/abstract/PRB/v59/p15346}, Volume = {59}, Year = {1999}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v59/p15346}} @article{hax04:062714, Author = {D. J. Haxton and Z. Zhang and H.-D. Meyer and T. N. Rescigno and C. W. McCurdy}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = pra, Pages = {062714}, Title = {Dynamics of dissociative attachment of electrons to water through the $^2{B}_1$ metastable state of the anion.}, Volume = {69}, Year = {2004}} @book{hehre:2003, Author = {Warren J. Hehre}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Publisher = {Wavefunction}, Title = {A guide to molecular mechanics and quantum chemical calculations}, Year = {2003}} @article{Heim:2004, Author = {T. Heim and T. Mellin and D. Deresmes and D. Vuillaume}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Applied Physics Letters}, Number = {13}, Pages = {2637}, Title = {Localization and delocalization of charges injected in to DNA}, Volume = {85}, Year = {2004}, Bdsk-File-1 = {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}} @article{hei01:1382, Author = {M.-C. Heitz and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:47 -0600}, Journal = jcp, Pages = {1382--1392}, Title = {Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: {A} multiconfiguration time-dependent {H}artree ({MCTDH}) study on {N}$_2$/{L}i{F}(001)}, Volume = {114}, Year = {2001}} @article{Heller81b, Author = {E. J. Heller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Number = {6}, Pages = {2923}, Title = {Frozen Gaussians: A very simple semiclassical approximation}, Volume = {75}, Year = {1981}} @article{Heller76, Author = {E. J. Heller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Pages = {4979}, Volume = {65}, Year = {1976}} @article{Heller76a, Author = {E. J. Heller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Pages = {63}, Volume = {64}, Year = {1976}} @article{Heller75, Author = {E. J. Heller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Pages = {1544}, Volume = {62}, Year = {1975}} @article{herz:045203, Author = {L. M. Herz and C. Daniel and C. Silva and F. J. M. Hoeben and A. P. H. J. Schenning and E. W. Meijer and R. H. Friend and R. T. Phillips}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Eid = {045203}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {organic compounds; excitons; photoluminescence; time resolved spectra}, Number = {4}, Numpages = {7}, Pages = {045203}, Publisher = {APS}, Title = {Fast exciton diffusion in chiral stacks of conjugated p-phenylene vinylene oligomers}, Url = {http://link.aps.org/abstract/PRB/v68/e045203}, Volume = {68}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v68/e045203}} @article{herz:195203, Author = {L. M. Herz and C. Silva and R. H. Friend and R. T. Phillips and S. Setayesh and S. Becker and D. Marsitsky and K. Mullen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Eid = {195203}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {dyes; aggregation; photoluminescence; time resolved spectra; polymers; excitons; Monte Carlo methods}, Number = {19}, Numpages = {9}, Pages = {195203}, Publisher = {APS}, Title = {Effects of aggregation on the excitation transfer in perylene-end-capped polyindenofluorene studied by time-resolved photoluminescence spectroscopy}, Url = {http://link.aps.org/abstract/PRB/v64/e195203}, Volume = {64}, Year = {2001}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v64/e195203}} @article{herz:165207, Author = {L. M. Herz and C. Silva and A. C. Grimsdale and K. Mullen and R. T. Phillips}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Eid = {165207}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {polymers; time resolved spectra; excitons; electronic density of states; spectral line breadth; photoluminescence; diffusion; vibronic states; organic semiconductors}, Number = {16}, Numpages = {9}, Pages = {165207}, Publisher = {APS}, Title = {Time-dependent energy transfer rates in a conjugated polymer guest-host system}, Url = {http://link.aps.org/abstract/PRB/v70/e165207}, Volume = {70}, Year = {2004}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v70/e165207}} @article{Herz:2001, Abstract = {We have performed time-resolved photoluminescence (PL) measurements to study the transfer of excitons from non-interacting polymer chains to chain aggregates for thin films of polyindenofluorene with different attached side chains. The transfer time is shown to be fast (35 ps) and side-chain independent indicating that the substitution of different side chains does not affect the local concentration of aggregate sites within aggregate-containing domains, but rather the extent to which such domains are formed. We find the aggregate emission efficiency to be relatively high (20%) while still lower than the efficiency of emission from non-interacting chains.}, Author = {L. M. Herz and C. Silva and R. T. Phillips and S. Setayesh and K. M{\"u}llen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:48 -0600}, Journal = {Chem. Phys. Lett.}, Month = {October}, Number = {4-6}, Pages = {318-324}, Title = {Exciton migration to chain aggregates in conjugated polymers: influence of side-chain substitution}, Url = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=ArticleURL\&_udi=B6TFN-442RTP9-4\&_user=2502247\&_coverDate=10%2F26%2F2001\&_alid=454127397\&_rdoc=3\&_fmt=summary\&_orig=search\&_cdi=5231\&_sort=d\&_docanchor=\&view=c\&_acct=C000057616\&_version=1\&_urlVersion=0\&_userid=2502247\&md5=922b6e016d8ba3d6c59b1c861ed34bb4}, Volume = {347}, Year = {2001}, Bdsk-Url-1 = {http://www.sciencedirect.com.ezproxy.lib.uh.edu/science?_ob=ArticleURL%5C&_udi=B6TFN-442RTP9-4%5C&_user=2502247%5C&_coverDate=10/26/2001%5C&_alid=454127397%5C&_rdoc=3%5C&_fmt=summary%5C&_orig=search%5C&_cdi=5231%5C&_sort=d%5C&_docanchor=%5C&view=c%5C&_acct=C000057616%5C&_version=1%5C&_urlVersion=0%5C&_userid=2502247%5C&md5=922b6e016d8ba3d6c59b1c861ed34bb4}} @article{Herzberg:1933a, Author = {G. Herzberg and E. Teller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Zeitschrift f{\"u}r physikalische Chemie. Abteilung B, Chemie der Elementarprozesse, Aufbau der Materie.}, Pages = {410}, Title = {Schwingungsstruck der Elektronen{\"u}berg{\"a}nge bie mehratomigen Molek{\"u}llen}, Volume = {21}, Year = {1933}, Bdsk-File-1 = {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}} @article{hjort:228101, Author = {Mattias Hjort and Sven Stafstrom}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:49 -0600}, Eid = {228101}, Journal = {Physical Review Letters}, Keywords = {DNA; resonant tunnelling; electrical conductivity; electron transport theory; conduction bands}, Number = {22}, Numpages = {4}, Pages = {228101}, Publisher = {APS}, Title = {Band Resonant Tunneling in DNA Molecules}, Url = {http://link.aps.org/abstract/PRL/v87/e228101}, Volume = {87}, Year = {2001}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v87/e228101}} @article{Ho:2001, Author = {P. K. H. Ho and J. -S. Kim and N. Tessler and R H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Keywords = {PPV, Franck-Condon analysis}, Pages = {2709}, Title = {Photoluminescence of poly(p-phenylenevinylene)--silica nanocomposites: Evidence for dual emission by Franck--Condon analysis}, Url = {http://link.aip.org/link/?JCP/115/2709/1}, Volume = {115}, Year = {2001}, Bdsk-File-1 = {YnBsaXN0MDDUAQIDBAUGCQpYJHZlcnNpb25UJHRvcFkkYXJjaGl2ZXJYJG9iamVjdHMSAAGGoNEHCFRyb290gAFfEA9OU0tleWVkQXJjaGl2ZXKoCwwXGBkdJCVVJG51bGzTDQ4PEBEUViRjbGFzc1dOUy5rZXlzWk5TLm9iamVjdHOAB6ISE4ACgAOiFRaABIAGWWFsaWFzRGF0YVxyZWxhdGl2ZVBhdGjSDRobHFdOUy5kYXRhgAVPEQGKAAAAAAGKAAIAAAxNYWNpbnRvc2ggSEQAAAAAAAAAAAAAAAAAAADDkqRLSCsAAAAN4J4KSG8yMDAxLnBkZgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA3hxcE5UeUAAAAAAAAAAAABAAIAAAkgAAAAAAAAAAAAAAAAAAAAClBERi1QYXBlcnMAEAAIAADDkvirAAAAEQAIAADBOZg1AAAAAQAQAA3gngAKo9sACqPEAAB6jgACADtNYWNpbnRvc2ggSEQ6VXNlcnM6ZWJpdHRuZXI6RG9jdW1lbnRzOlBERi1QYXBlcnM6SG8yMDAxLnBkZgAADgAWAAoASABvADIAMAAwADEALgBwAGQAZgAPABoADABNAGEAYwBpAG4AdABvAHMAaAAgAEgARAASAC5Vc2Vycy9lYml0dG5lci9Eb2N1bWVudHMvUERGLVBhcGVycy9IbzIwMDEucGRmABMAAS8AABUAAgAP//8AANIeHyAhWCRjbGFzc2VzWiRjbGFzc25hbWWjISIjXU5TTXV0YWJsZURhdGFWTlNEYXRhWE5TT2JqZWN0XxAYLi4vUERGLVBhcGVycy9IbzIwMDEucGRm0h4fJieiJyNcTlNEaWN0aW9uYXJ5AAgAEQAaAB8AKQAyADcAOgA/AEEAUwBcAGIAaQBwAHgAgwCFAIgAigCMAI8AkQCTAJ0AqgCvALcAuQJHAkwCVQJgAmQCcgJ5AoICnQKiAqUAAAAAAAACAQAAAAAAAAAoAAAAAAAAAAAAAAAAAAACsg==}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/115/2709/1}} @article{hochfilzer:2254, Author = {C. 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Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:50 -0600}, Journal = jcp, Pages = {2863}, Title = {Vibrational excitation in the transition state: {T}he {CH$_4$+H $\rightarrow$ CH$_3$+H$_2$} reaction rate constant in an extended temperature interval.}, Volume = {116}, Year = {2002}} @article{hua02:4635, Author = {F. Huarte-Larra{\~n}aga and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:50 -0600}, Journal = jcp, Pages = {4635}, Title = {Accurate quantum dynamics of a combustion reaction: Thermal rate constants of {O($^3$P)} + {CH}$_4$({X}$^1${A}$_1$) $\to$ {OH}({X$^2\Pi$}) + {CH}$_3$({X}$^2$ {A}$_2^{''}$)}, Volume = {117}, Year = {2002}} @article{hua00:5115, Author = {F. Huarte-Larra{\~n}aga and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:50 -0600}, Journal = jcp, Pages = {5115}, Title = {Full dimensional quantum calculations of the {CH$_4$+H $\rightarrow$ CH$_3$+H$_2$} reaction rate}, Volume = {113}, Year = {2000}} @article{huckel:279, Author = {H{\"u}ckel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:50 -0600}, Journal = {Zeitschrift fur Physik}, Number = {204}, Pages = {279-}, Publisher = {der Gesellschaft}, Volume = {70}, Year = {1931}} @article{Hughes02, Author = {K. E. Hughes and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:50 -0600}, Journal = {Chem. Phys. Lett.}, Keywords = {Bayesian - Physics}, Pages = {336}, Title = {Wavepacket dynamics on dynamically adapting grids: Application of the equidistribution principle}, Volume = {366}, Year = {2002}} @article{hung:152, Author = {L. S. Hung and C. W. Tang and M. G. Mason}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = {Applied Physics Letters}, Keywords = {electroluminescent devices; lithium compounds; fluorine compounds; electrodes; organic semiconductors}, Number = {2}, Pages = {152-154}, Publisher = {AIP}, Title = {Enhanced electron injection in organic electroluminescence devices using an Al/LiF electrode}, Url = {http://link.aip.org/link/?APL/70/152/1}, Volume = {70}, Year = {1997}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/70/152/1}} @article{Huscroft00, Author = {C. Huscroft and R. Gross and M. Jarrell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = {Phys. Rev. B}, Keywords = {Stochastic}, Month = {April}, Number = {14}, Pages = {9300}, Title = {Maximum entropy method of obtaining thermodynamic properties from quantum Monte Carlo simulations}, Volume = {61}, Year = {2000}} @article{hush:1005, Author = {N. S. Hush}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = {Electrochimica Acta}, Number = {5}, Numpages = {19}, Pages = {1005-1023}, Publisher = {Elsevier}, Title = {Homogeneous and Heterogeneous Optical and Thermal Electron Transfer}, Volume = {13}, Year = {1968}} @article{Hwang:2004, Author = {Hyonseok Hwang and Peter J. Rossky}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Phys. Chem. A}, Pages = {2607}, Title = {Harmonic model description of the Franck-Condon density for a betaine dye molecule}, Url = {http://dx.doi.org/10.1021/jp0370324}, Volume = {108}, Year = {2004}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp0370324}} @article{im:3952, Author = {C. Im and W. Tian and H. Bassler and A. Fechtenkotter and M. D. Watson and K. Mullen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {photoconductivity; polymers; potential energy functions; impurities; photoionisation}, Number = {7}, Pages = {3952-3957}, Publisher = {AIP}, Title = {Photoconduction in organic donor--acceptor systems}, Url = {http://link.aip.org/link/?JCP/119/3952/1}, Volume = {119}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/119/3952/1}} @article{Ito:2000, Abstract = {A review. The authors discuss an approach to the understanding of UV and CD spectra for mol. aggregates and biopolymers. For this aim, sections II and III are intended to provide an elementary introduction. In section III, the Fano-DeVoe approxn. is classically introduced. In section II, the authors describe, rather in detail, particularly the Kramers-Kronig transform of the imaginary part of the polarizability approximated by the Gaussian band shape function. In so doing, the real part of polarizability is represented by a Dawson integral for which, however, the authors could not find any detailed refs. as presented here. In section IV, using a monomer's Gaussian polarizability which is essential for describing the J-bands, the authors discuss qual. the J-bands of pseudoisocyanines in terms of the usual Fano-DeVoe approxn. In sections V and VI, the polarizability theories are outlined in the usual and extended Fano-DeVoe approxns. In section VII, the polymer CD band shape function classically derived by DeVoe can quantum-mech. be re-derived from the description of optical activity given in the known textbook written by Eyring et al. In section VIII, to demonstrate that the familiar exciton schematic dimer model of Kasha and coworkers can be confirmed again in terms of the authors' band shape analyses which reproduce their energy-level diagrams, UV spectra for three types of hypothetical chlorophyll a dimers are computed by the Fano-DeVoe polarizability approxn.; the three typical dimers have resp. a parallel stacked array, a linear head-to-tail coplanar array, and an obliquely card-packed array. Esp., for obliquely card-packed dimers with skewed, non-eclipsed arrangements of monomers, in which the transition dipoles are skewed in the sense of either a right- or left-handed helix, the authors mention that computed CD spectra can det. the abs. sense of twist between chromophores. In sections IX and X, applications of the polarizability theories to DNAs and polypeptides are mentioned. [on SciFinder (R)]}, Author = {Ito, Hirotoshi.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = {Trends in Chemical Physics}, Keywords = {review linear polarizability mol aggregate DNA polypeptide; Fano DeVoe model CD UV biopolymer J band review}, Owner = {bittner}, Pages = {75-130}, Timestamp = {2006.01.02}, Title = {Linear response polarizability tensor theory for predicting the optical properties of molecular aggregates, DNA molecules, and polypeptides.}, Volume = {8}, Year = {2000}} @article{iun04:6992, Author = {C. Iung and F. Gatti and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:51 -0600}, Journal = jcp, Pages = {6992--6998}, Title = {Intramolecular Vibrational Energy Redistribution in the highly excited {F}luoroform Molecule: {A} quantum mechanical study using the {MCTDH} algorithm}, Volume = {120}, Year = {2004}} @article{iun99:3377, Author = {C. Iung and F. Gatti and A. Viel and X. 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Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:52 -0600}, Journal = jcp, Pages = {241--248}, Title = {Reaction cross sections for the \mbox{H+D$_2(\nu=0,1)$} system for collision up to 2.5~e{V}: A multiconfiguration time-dependent {H}artree wave-packet propagation study.}, Volume = {110}, Year = {1999}} @article{jae98:2614, Author = {A. J{\"a}ckle and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:52 -0600}, Journal = jcp, Pages = {2614}, Title = {Calculation of \mbox{H+H$_2$} and \mbox{H+D$_2$} reaction probabilities within the multiconfiguration time-dependent {H}artree approach employing an adiabatic correction scheme.}, Volume = {109}, Year = {1998}} @article{jae98:3772, Author = {A. J{\"a}ckle and H.-D. 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Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:52 -0600}, Journal = jcp, Pages = {5605}, Title = {Reactive scattering using the multiconfiguration time-dependent {H}artree approximation: {G}eneral aspects and application to the collinear {H+H$_2\rightarrow$ H$_2$+H} reaction.}, Volume = {102}, Year = {1995}} @article{Jacobs98, Author = {K. Jacobs and P. L. Knight}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:52 -0600}, Journal = {Phys. Rev. A}, Keywords = {Cosmology}, Month = {April}, Pages = {2301}, Title = {Linear quantum trajectories: Applications to continuous projection measurements}, Volume = {57}, Year = {1998}} @conference{jaiser:207, Author = {Frank Jaiser and Xiaohui Yang and Dieter Neher and Roland Guentner and P. Scanduicci de Freitas and M. Forster and Ullrich Scherf}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:52 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Journal = {Organic Light-Emitting Materials and Devices VII}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {207-215}, Publisher = {SPIE}, Title = {Fluorenone defects in polyfluorene-based light-emitting diodes: emission properties and device performance}, Url = {http://link.aip.org/link/?PSI/5214/207/1}, Volume = {5214}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5214/207/1}} @article{jan94:2654, Author = {A. P. J. Jansen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:53 -0600}, Journal = jcp, Pages = {2654}, Title = {Response to ``{C}omment on `{A} multiconfiguration time-dependent {H}artree approximation based on natural single-particle states'''.}, Volume = {101}, Year = {1994}} @article{jan93:4055, Author = {A. P. J. 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Fleming}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:53 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {VIBRATIONAL STATES; EXCITED STATES; ENERGY LEVELS; LEVEL CROSSING; RELAXATION; PHASE STUDIES; SIMULATION; COUPLING; BLOCH EQUATIONS}, Number = {6}, Pages = {2092-2101}, Publisher = {AIP}, Title = {Competition between energy and phase relaxation in electronic curve crossing processes}, Url = {http://link.aip.org/link/?JCP/103/2092/1}, Volume = {103}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/103/2092/1}} @article{jean:2353, Author = {John M. Jean and Richard A. Friesner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:53 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {TEMPERATURE DEPENDENCE; RAMAN SPECTRA; RESONANCE; LINE INTENSITY; CORRELATIONS; POLYATOMIC MOLECULES}, Number = {5}, Pages = {2353-2364}, Publisher = {AIP}, Title = {An accurate and efficient decoupling approximation for temperature-dependent multimode resonance Raman spectra}, Url = {http://link.aip.org/link/?JCP/85/2353/1}, Volume = {85}, Year = {1986}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/85/2353/1}} @article{jean:5827, Author = {John M. Jean and Richard A. Friesner and Graham R. 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Hall}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:54 -0600}, Journal = {PNAS}, Pages = {37}, Title = {2-Aminopurine fluorescence quenching and lifetimes: Role of base stacking}, Url = {http://www.pnas.org/cgi/content/abstract/98/1/37}, Volume = {98}, Year = {2000}, Bdsk-Url-1 = {http://www.pnas.org/cgi/content/abstract/98/1/37}} @article{jenekhe:765, Author = {Samson A. Jenekhe and John A. Osaheni}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:54 -0600}, Journal = {Science}, Pages = {765-768}, Title = {Excimers and exciplexes of conjugated polymers}, Volume = {265}, Year = {1994}} @article{jenekhe:2635, Author = {Samson A. Jenekhe and Shujian Yi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:54 -0600}, Journal = {Applied Physics Letters}, Keywords = {solar cells; organic semiconductors; conducting polymers; spin coating; polymer films; p-n heterojunctions; space charge; ohmic contacts}, Number = {17}, Pages = {2635-2637}, Publisher = {AIP}, Title = {Efficient photovoltaic cells from semiconducting polymer heterojunctions}, Url = {http://link.aip.org/link/?APL/77/2635/1}, Volume = {77}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/77/2635/1}} @article{Jensen89, Author = {K. L. Jensen and F. A. Buot}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:54 -0600}, Journal = {Appl. Phys. Lett.}, Keywords = {Uncatagorized - Semiclassical}, Month = {August}, Pages = {669}, Title = {Numerical calculation of particle trajectories and tunneling times for resonant tunneling barrier structures}, Volume = {55}, Year = {1989}} @article{jia:259, Author = {Yiwei Jia and John M. Jean and Melanie M. Werst and Chi-Kin Chan and Graham R. Fleming}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:55 -0600}, Journal = {Biophysical Journal}, Keywords = {ENERGY TRANSFER; TEMPERATURE DEPENDENCE; ANTENNAS; FLUORESCENCE; PHOTOCHEMISTRY; PROTEINS; CHLOROPHYLL; ABSORPTION SPECTRA; EMISSION SPECTRA}, Number = {1}, Pages = {259-273}, Publisher = {BS}, Title = {Simulations of the temperature dependence of energy transfer in the PSI core antenna}, Url = {http://link.aip.org/link/?BIO/63/259/1}, Volume = {63}, Year = {1992}, Bdsk-Url-1 = {http://link.aip.org/link/?BIO/63/259/1}} @article{johansson:2542, Author = {N. Johansson and D. A. dos Santos and S. Guo and J. Cornil and M. Fahlman and J. Salbeck and H. Schenk and H. Arwin and J. L. Bredas and W. R. Salanek}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:55 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {organic compounds; molecular electronic states; electroluminescence; photoelectron spectra; Raman spectra; ellipsometry; INDO calculations; configuration interactions}, Number = {7}, Pages = {2542-2549}, Publisher = {AIP}, Title = {Electronic structure and optical properties of electroluminescent spiro-type molecules}, Url = {http://link.aip.org/link/?JCP/107/2542/1}, Volume = {107}, Year = {1997}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/107/2542/1}} @article{jol86:295, Author = {G. Jolicard and E. 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Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:56 -0600}, Eid = {057402}, Journal = {Physical Review Letters}, Keywords = {conducting polymers; electron-hole recombination; excitons; modelling; electron-phonon interactions; vibronic states; electroluminescence; spin Hamiltonians}, Number = {5}, Numpages = {4}, Pages = {057402}, Publisher = {APS}, Title = {Spin-Dependent Electron-Hole Capture Kinetics in Luminescent Conjugated Polymers}, Url = {http://link.aps.org/abstract/PRL/v90/e057402}, Volume = {90}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v90/e057402}} @article{karadakov:8520, Author = {Peter Karadakov and Jean-Louis Calais and Joseph Delhalle}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:57 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {CONFIGURATION INTERACTION; ELECTRONIC STRUCTURE; POLYENES; POLYATOMIC MOLECULES}, Number = {12}, Pages = {8520-8528}, Publisher = {AIP}, Title = {A localized-basis monoexcited configuration interaction technique for extended systems}, Url = {http://link.aip.org/link/?JCP/94/8520/1}, Volume = {94}, Year = {1991}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/94/8520/1}} @article{kasha:14, Author = {Michael Kasha}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:57 -0600}, Journal = {Discussions of the Faraday Society}, Number = {9}, Pages = {14-19}, Title = {Characterization of electronic transitions in complex molecules}, Year = {1950}} @article{Kawanishi:2001, Author = {Shosuke Kawanishi and Yusuke Hiraku}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Curr. Prob. Dermatol.}, Pages = {74}, Title = {Sequence specific DNA damage induced by UVA radiation in the presence of exogenous photosensitizers}, Volume = {29}, Year = {2001}, Bdsk-File-1 = {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}} @article{Kelley:1999, Author = {Shana O. Kelley and Jacqueline K. Barton}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Science}, Pages = {375}, Title = {Electron Transfer Between Bases in Double Helical {DNA}}, Url = {http://www.sciencemag.org/cgi/content/abstract/283/5400/375}, Volume = {283}, Year = {1999}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://www.sciencemag.org/cgi/content/abstract/283/5400/375}} @article{Kenmoku98, Author = {M. Kenmoku and H. Kubotani and E. Takasugi and Y. Yamazaki}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:57 -0600}, Journal = {Phys. Rev. D}, Keywords = {Cosmology}, Month = {April}, Pages = {4925}, Title = {de Broglie-Bohm interpretation for the wave function of quantum black holes}, Volume = {57}, Year = {1998}} @article{kersting:3820, Author = {R. Kersting and U. Lemmer and R. F. Mahrt and K. Leo and H. Kurz and H. B{\"a}ssler and E. O. G{\"o}bel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Journal = {Physical Review Letters}, Number = {24}, Numpages = {4}, Pages = {3820-3823}, Publisher = {APS}, Title = {Femtosecond Energy Relaxation in \pi-Conjugated Polymers}, Url = {http://link.aps.org/abstract/PRL/v70/p3820}, Volume = {70}, Year = {1993}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v70/p3820}} @article{Kertesz:1976, Abstract = {Theor. description of the electronic excited states in polymers is greatly enhanced by the use of a localized picture. For the inclusion of the mono-excited states by the use of the localized (Wannier) functions of the polymer's ground state V Takeuti's Green's function formalism (1957) seems most appropriate. By using the LCAO form of Takeuti's formalism coupled electron-hole pairs delocalized over some elementary cells (intermediate excitons) can be described. This paper reports 1st numerical results for polyene and 2 simple periodic DNA models using semiempirical quantum chem. and solid state phys. methods. The results support the use of intermediate excitons because both 1st excitation energies as well as oscillator strengths are in better agreement with expt. than those obtained by both an extremely localized and delocalized description. The hypochromism of DNA is most probably partly due to interbase charge transfer type interactions. [on SciFinder (R)]}, Author = {Kertesz, Miklos.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Journal = {Kemiai Kozlemenyek}, Keywords = {polymer electronic excited state; exciton polymer; DNA exciton; polyethylene exciton}, Owner = {bittner}, Pages = {393-7}, Timestamp = {2006.01.02}, Title = {Transitional excitons in polymers.}, Volume = {46}, Year = {1976}} @article{khan:085201, Author = {Amena L. T. Khan and Paiboon Sreearunothai and Laura M. Herz and Michael J. Banach and Anna Kohler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Eid = {085201}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {polymer films; organic semiconductors; crystal morphology; time resolved spectra; photoluminescence; boiling point; Franck-Condon factors; dipole coupling}, Number = {8}, Numpages = {8}, Pages = {085201}, Publisher = {APS}, Title = {Morphology-dependent energy transfer within polyfluorene thin films}, Url = {http://link.aps.org/abstract/PRB/v69/e085201}, Volume = {69}, Year = {2004}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v69/e085201}} @article{kim:183502, Author = {Heejoo Kim and Jin Young Kim and Sung Heum Park and Kwanghee Lee and Youngeup Jin and Jinwoo Kim and Hongsuk Suh}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Eid = {183502}, Journal = {Applied Physics Letters}, Keywords = {fullerene compounds; organic semiconductors; filled polymers; photovoltaic cells; organic light emitting diodes; excimers; electroluminescence; photoluminescence; radiation quenching}, Number = {18}, Numpages = {3}, Pages = {183502}, Publisher = {AIP}, Title = {Electroluminescence in polymer-fullerene photovoltaic cells}, Url = {http://link.aip.org/link/?APL/86/183502/1}, Volume = {86}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/86/183502/1}} @article{Kirchanov:2006, Author = {V. S. Kirchanov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Journal = {Theoretical and Mathematical Physics}, Keywords = {Lindblad, Quantum Relaxation}, Number = {2}, Pages = {1117-1122}, Title = {Applying the Linblad equation to quantum dissipative systems}, Url = {dx.doi.org/10.1007/s11232-006-0105-6}, Volume = {148}, Year = {2006}, Bdsk-Url-1 = {dx.doi.org/10.1007/s11232-006-0105-6}} @article{Kirova:2005, Author = {T. Kirova and F. C. Spano}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:58 -0600}, Journal = {Physical Review A}, Number = {6}, Pages = {063816}, Title = {Designing molecular eigenstates in a four-level Lambda system}, Volume = {71}, Year = {2005}} @article{Kobayashi:2003, Abstract = {Time-resolved photoluminescence (PL) measurements on highly ordered and disordered films of a polythiophene (PT) derivative were compared. Although delocalization lengths of electrons and the strengths of interchain interaction are quite different between the two films, a biexponential decay and a change in spectral shape, from one with a large 0-0 transition to one with a large 0-1 transition, were commonly observed. Therefore, we conclude that PL spectra of PT consist of two components having different spectral shapes and different lifetimes, and that these components originate from intrachain odd- and even-parity states that are coupled by electron-phonon interaction. This model explains the greatly reduced fluorescence yield for the ordered film as well as the time-resolved PL measurements.}, Author = {Takashi Kobayashi and Junichi Hamazaki and Hideyuki Kunugita and Kazuhiro Ema and Takeshi Endo and Masahiro Rikukawa and Kohei Sanui}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. B}, Number = {205214}, Title = {Coexistence of photoluminescence from two intrachain states in polythiophene films}, Volume = {67}, Year = {2003}, Bdsk-File-1 = {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}} @article{kobrak:11473, Author = {Mark N. Kobrak and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {quasiparticles; conducting polymers; polarons; excitons; molecular dynamics method; wave functions; electroluminescence; electroluminescent devices; effective mass}, Number = {17}, Pages = {11473-11486}, Publisher = {APS}, Title = {Quantum molecular dynamics study of polaron recombination in conjugated polymers}, Url = {http://link.aps.org/abstract/PRB/v62/p11473}, Volume = {62}, Year = {2000}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v62/p11473}} @article{kobrak:5399, Author = {Mark N. Kobrak and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; excitons; triplet state; vibrational modes; photoexcitation}, Number = {12}, Pages = {5399-5409}, Publisher = {AIP}, Title = {A dynamic model for exciton self-trapping in conjugated polymers. I. Theory}, Url = {http://link.aip.org/link/?JCP/112/5399/1}, Volume = {112}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/112/5399/1}} @article{kobrak:5410, Author = {Mark N. Kobrak and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; excitons; vibrational modes}, Number = {12}, Pages = {5410-5419}, Publisher = {AIP}, Title = {A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation}, Url = {http://link.aip.org/link/?JCP/112/5410/1}, Volume = {112}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/112/5410/1}} @article{kobrak:7684, Author = {Mark N. Kobrak and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {molecular dynamics method; excitons; fluorescence; polymers; time resolved spectra}, Number = {17}, Pages = {7684-7692}, Publisher = {AIP}, Title = {A quantum molecular dynamics study of exciton self-trapping in conjugated polymers: Temperature dependence and spectroscopy}, Url = {http://link.aip.org/link/?JCP/112/7684/1}, Volume = {112}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/112/7684/1}} @article{kobrak:891, Author = {Mark N. Kobrak and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; excitons; vibrational modes}, Number = {2}, Pages = {891-891}, Publisher = {AIP}, Title = {Erratum: ``A dynamic model for exciton self-trapping in conjugated polymers. II. Implementation'' [J. Chem. Phys. [bold 112], 5410 (2000)]}, Url = {http://link.aip.org/link/?JCP/113/891/1}, Volume = {113}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/113/891/1}} @article{Kogut:1975, Author = {J. B. Kogut and L. Susskind}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {Phys. Rev. D}, Pages = {395}, Title = {Hamiltonian form of Wilson's lattice guage theories}, Volume = {11}, Year = {1975}} @article{Kohen97, Author = {D. Kohen and C. C. Marston and D. J. Tannor}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {5236}, Volume = {107}, Year = {1997}} @article{kohler:9457, Author = {A. Kohler and J. S. Wilson and R. H. Friend and M. K. Al-Suti and M. S. Khan and A. Gerhard and H. Bassler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:20:59 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {organic compounds; polymers; energy gap; triplet state; phosphorescence; charge exchange}, Number = {21}, Pages = {9457-9463}, Publisher = {AIP}, Title = {The singlet--triplet energy gap in organic and Pt-containing phenylene ethynylene polymers and monomers}, Url = {http://link.aip.org/link/?JCP/116/9457/1}, Volume = {116}, Year = {2002}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/9457/1}} @article{kohn:809, Author = {W. Kohn}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Phys. Rev.}, Pages = {809}, Title = {Analytic Properties of Bloch Waves and Wannier Functions}, Url = {http://link.aps.org/abstract/PR/v115/p809}, Year = {1959}, Bdsk-Url-1 = {http://link.aps.org/abstract/PR/v115/p809}} @article{kondakov:1068, Author = {D. Y. Kondakov and J. R. Sandifer and C. W. Tang and R. H. Young}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {SID Symposium Digest of Technical Papers}, Number = {1}, Pages = {1068-1071}, Publisher = {SID}, Title = {33.1: Invited Paper: OLED Aging Mechanisms: from Fluorescence Quenchers to Nonradiative Recombination Centers}, Url = {http://link.aip.org/link/?DTP/34/1068/1}, Volume = {34}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?DTP/34/1068/1}} @article{kondakov:1108, Author = {D. Y. Kondakov and J. R. Sandifer and C. W. Tang and R. H. Young}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Journal of Applied Physics}, Keywords = {organic light emitting diodes; hole traps; capacitance; electroluminescence; electron-hole recombination}, Number = {2}, Pages = {1108-1119}, Publisher = {AIP}, Title = {Nonradiative recombination centers and electrical aging of organic light-emitting diodes: Direct connection between accumulation of trapped charge and luminance loss}, Url = {http://link.aip.org/link/?JAP/93/1108/1}, Volume = {93}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/93/1108/1}} @inproceedings{Koppel:2004, Address = {Singapore}, Author = {H. K{\"o}ppel and W. Domcke and L. S. Cederbaum}, Booktitle = {Conical Intersections: Electronic structure, Dynamics and Spectroscopy}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Editor = {W. Domcke and D. R. Yarkony and H. K{\"o}ppel}, Keywords = {conical intersections}, Pages = {323}, Publisher = {World Scientific Co.}, Volume = {15}, Year = {2004}} @article{Koppel:1984, Author = {H. K{\"o}ppel and W. Domcke and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Adv. Chem. Phys.}, Keywords = {conical intersections}, Pages = {59}, Title = {Multi-mode molecular dynamics beyond the Born-Oppenheimer approximation}, Volume = {57}, Year = {84}} @article{koe02:2657, Author = {H. K{\"o}ppel and M. D{\"o}scher and I. Baldea and H.-D. Meyer and P.~G. Szalay}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = jcp, Pages = {2657--2671}, Title = {Multistate vibronic interactions in the benzene radical cation. {II}. {Q}uantum dynamical simulations}, Volume = {117}, Year = {2002}} @article{Korotkov02, Author = {A. N. Korotkov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Phys. Rev. A}, Keywords = {Cosmology}, Month = {April}, Pages = {052304}, Title = {Continuous measurement of entangled qubits}, Volume = {65}, Year = {2002}} @article{Korotkov01, Author = {A. N. Korotkov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Phys. Rev. B}, Keywords = {Cosmology}, Month = {February}, Pages = {085312}, Title = {Output spectrum of a detector measuring quantum oscillations}, Volume = {63}, Year = {2001}} @article{Korotkov01a, Author = {A. N. Korotkov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:00 -0600}, Journal = {Phys. Rev. B}, Keywords = {Cosmology}, Month = {February}, Pages = {115403}, Title = {Selective quantum evolution of a qubit due to continuous measurement}, Volume = {63}, Year = {2001}} @article{Korovyanko:2001, Author = {Korovyanko, O. J. and {\"O}sterbacka, R. and Jiang, X. M. and Vardeny, Z. V. and Janssen, R. A. J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. B}, Number = {23}, Pages = {235122}, Title = {Photoexcitation dynamics in regioregular and regiorandom polythiophene films}, Url = {http://prola.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v64/i23/e235122?qid=247daec9a6172627\&qseq=3\&show=25}, Volume = {64}, Year = {2001}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://prola.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v64/i23/e235122?qid=247daec9a6172627%5C&qseq=3%5C&show=25}} @article{kos83:35, Author = {D. Kosloff and R. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = comp, Pages = {35}, Title = {A {F}ourier-method solution for the time-dependent {S}chr{\"o}dinger equation as a tool in molecular dynamics.}, Volume = {52}, Year = {1983}} @article{kos94:145, Author = {R. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = arpc, Pages = {145}, Title = {Propagation methods for quantum molecular dynamics.}, Volume = {45}, Year = {1994}} @article{kos88:2087, Author = {R. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = jpc, Pages = {2087}, Title = {Time-dependent quantum-mechanical methods for molecular dynamics.}, Volume = {92}, Year = {1988}} @article{kos86:363, Author = {R. Kosloff and D. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = comp, Pages = {363}, Title = {Absorbing boundaries for wave propagation problems.}, Volume = {63}, Year = {1986}} @article{Kosloff80, Author = {R. Kosloff and S. A. Rice}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {4591}, Volume = {72}, Year = {1980}} @article{kos86:223, Author = {R. Kosloff and H. Tal-Ezer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = cpl, Pages = {223}, Title = {A direct relaxation method for calculating eigenfunctions and eigenvalues of the {S}chr{\"o}dinger equation on a grid.}, Volume = {127}, Year = {1986}} @article{Kotani:2006, Author = {Hiroaki Kotani and Kei Ohkubo and Nikolai V. Tkachenko and Helge Lemmetyinen and Shunichi Fukuzumi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Am. Chem. Soc.}, Title = {Photoinduced electron transfer in 9-substituted 10-methylacridinium ions: formation of long-lived $\pi$ dimer radical cations}, Year = {2006}, Bdsk-File-1 = {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}} @article{Kramer:1993, Author = {Bernard Kramer and Angus MacKinnon}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:01 -0600}, Journal = {Rep. Prog. Phys.}, Pages = {1469}, Title = {Localization: theory and experiment}, Volume = {56}, Year = {1993}} @article{krikorian:2306, Author = {E. Krikorian and R. J. Sneed}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Journal = {Journal of Applied Physics}, Number = {5}, Pages = {2306-2314}, Publisher = {AIP}, Title = {Diffusion Doped Organic p-n Junctions}, Url = {http://link.aip.org/link/?JAP/40/2306/1}, Volume = {40}, Year = {1969}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/40/2306/1}} @article{Krueger:1998, Author = {Brent P. Krueger and Gregory D. Scholes and Graham R. Fleming}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Journal = {J. Phys. Chem. B}, Pages = {5378}, Title = {Calculation of couplings and energy-transfter pathways between pigments of LH2 and the ab initio transition density cube method}, Volume = {102}, Year = {1998}} @conference{krueger:98, Author = {Hartmut Krueger and Silvia Janietz and Manuel Thesen and Bert Fischer and Armin Wedel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Journal = {Organic Photovoltaics V}, Location = {Denver, CO, USA}, Number = {1}, Pages = {98-109}, Publisher = {SPIE}, Title = {n-type semiconducting polymers as electron acceptors for organic photovoltaics}, Url = {http://link.aip.org/link/?PSI/5520/98/1}, Volume = {5520}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5520/98/1}} @article{kubatkin:698, Author = {Sergey Kubatkin and Andrey Danilov and Mattias Hjort and Jerome Cornil and Jean-Luc Bredas and Nicolai Stuhr-Hansen and Per Hedegrd and Thomas Bjornholm}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Journal = {Nature}, Keywords = {single electron transistors; molecular electronics; molecular electronic states; transport processes; semiconductor devices}, Number = {6959}, Pages = {698-701}, Publisher = {OTHER}, Title = {Single-electron transistor of a single organic molecule with access to several redox states}, Url = {http://www.nature.com/doifinder/10.1038/nature02010}, Volume = {425}, Year = {2003}, Bdsk-Url-1 = {http://www.nature.com/doifinder/10.1038/nature02010}} @article{Kuhne:1978, Author = {R. K{\"u}hne and P. Reineker}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Z. Physik B}, Keywords = {master equation}, Number = {1}, Pages = {105-110}, Title = {Nakajima-Zwanzig's generalized master equation: evaluation of the kernel of the integro-differential equation}, Volume = {31}, Year = {1978}, Bdsk-File-1 = {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}} @article{Ladik:1993, Abstract = {Using the sum rules of oscillator strengths of different individual transitions of different symmetry, a simple algebraic equation for the frequency of the collective excitation of the p-system, of only the s electrons, and finally for the whole valence electron system of a cytosine stack by charged particle radiation was derived. The input data (besides the geometry of DNA B and of the no. of different types of electrons in cytosine) for the individual valence and core excitations were estd. on the basis of ab initio Hartree-Fock band structures of a cytosine stack. These bands were cor. for correlation at the MP2 level and the results of an intermediate exciton calcn. were taken into account. The obtained frequencies of the different collective excitations (plasmons) are in fairly good agreement with the results of energy loss expts. [on SciFinder (R)]}, Author = {Ladik, J. and Fruechtl, H. and Otto, P. and Jaeger, J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Journal = {Journal of Molecular Structure}, Keywords = {cytosine stack excited state charged particle}, Owner = {bittner}, Pages = {215-19}, Timestamp = {2006.01.02}, Title = {Approximate calculation of the collective excited states of a cytosine stack.}, Volume = {297}, Year = {1993}} @article{Ladik:1976, Author = {Ladik, J. and M. Seel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. B}, Number = {12}, Pages = {5338}, Title = {Electronic structure of aperiodic polymers. I. the average-matrix method and the effect of a cluster of impurities on the band structure of a periodic system}, Volume = {13}, Year = {1976}, Bdsk-File-1 = {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}} @article{Ladik:1977, Abstract = {A minimal basis set ab initio calcn. was performed for the 4 nucleotide bases and for the infinite polycytosine chain. The lowest unfilled electron MO levels were cor. using the OAO procedure. Long-range correlation effects on the band structure of poly C were computed using the electron polaron model. Using these calcd. quantities and assuming that the other 3 homopolynucleotides have a similar band structure as polyC, the positions and widths of their valence and exciton bands were approxd. Finally, by the superposition of the band structures of the homopolynucleotides the phys. interesting bands of poly(G-C) and poly(A-T) were estd. [on SciFinder (R)]}, Author = {Ladik, Janos and Suhai, Sandor and Otto, Peter and Collins, Thomas C.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:02 -0600}, Journal = {International Journal of Quantum Chemistry, Quantum Biology Symposium}, Keywords = {DNA energy level band structure; polycytidylate energy level band structure; polynucleotide energy level band structure}, Owner = {bittner}, Pages = {55-63}, Timestamp = {2006.01.02}, Title = {Estimation of the band structure of DNA on the basis of an ab initio SCF LCAO band structure of polycytosine.}, Volume = {4}, Year = {1977}} @article{Ladik:2003, Abstract = {In this paper, we first discuss the single site CPA with a momentum and energy-dependent self energy and apply it for the calcn. of the d. of states of the mixed (SN)X- (SNH)X system. Next, the Neg. Factor Counting (NFC) Method is presented both in its simple (tight binding) and ab initio matrix block form. The latter formalism can be applied also to take into account correlation. As a further step, the random walk theory of Lax and coworkers (generalized for the case of arbitrary no. of basis functions per site) is discussed in some detail. It is shown that by the knowledge of the Anderson-localized one-electron wave functions (computed with the aid of the inverse iteration method), one can easily det. the hopping frequencies in a disordered chain. The latter quantities serve as input into the random walk theory, which, applying Einstein's relation, provides the frequency-dependent complex hopping cond. As an application, the d. of states (DOS) are presented of different aperiodic polymers. It turns out that due to the aperiodicity the DOS histograms broaden strongly as compared to the periodic case if the no. of components is at least 3. The calcns. have shown as that by a small degree of disorder, the CPA DOS gives a reasonably good envelope curve of the NFC histogram. This is, however, not the case of the DOS of larger disorder when the CPA curve gives only a rather poor approxn. to the NFC histogram. The hopping conductivities calcd. for different proteins (insulin, lysozyme, subtilisin, etc.) are comparatively large (V(o) ~ 10-2W-1cm-1 at large frequencies as o = 1011 sec-1), and they are usually substantially larger in the biol. active form of the protein, than in the inactive one. The hopping cond. of disordered nucleotide base pairs is in the order of 5.10-1W-1cm-1 at o = 1011 sec-1. The cond. increases by 2.5 orders of magnitude if one introduces a better basis and introduces at the NFC stage also a correlation in the MP2 level. The hopping cond. of aperiodic polynucleotides decreases exponentially with decreasing temp. (until about 60K). Around 60K, the hopping cond. becomes hardly dependent on the activation energy in the Boltzmann factor. This makes it very probable that at a higher T-s variable range, hopping is the dominant mechanism of the cond., while at low temps. the conduction happens via multichannel tunneling between the stacked mols. All the results obtained for the aperiodic base pair stacks are in excellent agreement (also the T-dependence) with the electron energy loss expts. in a hole resonator performed recently on l-phage DNA. In the last full point of the paper, we describe a newly developed intermediate exciton theory for disordered chains. The somewhat involved formalism can give a theor. description of the excitonic energy levels (both in the singlet or triplet case) and their intensity. As a last point, further probable directions of development of the quantum theory of disordered chains (like non-linear optical properties, theory of light emitting devices, exciton transfer, mixts. of polymers with metals) are summarized. [on SciFinder (R)]}, Author = {Ladik, Janos J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = {Fundamental World of Quantum Chemistry}, Keywords = {polymer protein polynucleotide quantum theory electronic structure random walk; density states CPA hopping cond polymer protein polynucleotide}, Owner = {bittner}, Pages = {271-303}, Timestamp = {2006.01.02}, Title = {Quantum theory of disordered chains. Electronic structure and properties.}, Volume = {2}, Year = {2003}} @article{Ladik:1978, Abstract = {The results of an ab initio SCF LCAO crystal orbital calcn. of polycytosine are described. The band structure obtained was cor. also for the exciton correction between an excited electron and the remaining hole applying the so-called OAO formalism and for long-range correlation effects (using the electron-polaron model). On the basis of these results, an estn. was made of the band structure of DNA. The ab initio band structure of polyglycine and the interaction of this periodic protein model with different electron acceptors is presented. Finally, on the basis of the electronic structure of DNA and of proteins, different possible mechanisms of chem. carcinogenesis are briefly described. [on SciFinder (R)]}, Author = {Ladik, Janos J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = {NATO Advanced Study Institutes Series, Series C: Mathematical and Physical Sciences}, Keywords = {biopolymer electronic structure; energy band DNA protein; carcinogenesis DNA protein energy band; carcinogen DNA protein interaction}, Owner = {bittner}, Pages = {257-78}, Timestamp = {2006.01.02}, Title = {Electronic structure of biopolymers.}, Volume = {C39}, Year = {1978}} @article{Lan00, Author = {B. L. Lan}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = {Phys. Rev. A}, Keywords = {Bohm Theory - Bohmian}, Month = {February}, Pages = {032105}, Title = {Violation of the correspondence principle: Breakdown of the Bohm-Newton trajectory correspondence in a macroscopic system}, Volume = {61}, Year = {2000}} @article{langer:5400, Author = {Holger Langer and Nikos L. Doltsinis}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {organic compounds; molecular biophysics; isomerism; vibrational states; ground states; infrared spectra; ultraviolet spectra; excited states; molecular dynamics method}, Number = {12}, Pages = {5400-5407}, Publisher = {AIP}, Title = {Excited state tautomerism of the DNA base guanine: A restricted open-shell Kohn--Sham study}, Url = {http://link.aip.org/link/?JCP/118/5400/1}, Volume = {118}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/5400/1}} @article{lanzani:047402, Author = {G. Lanzani and G. Cerullo and C. Brabec and N. S. Sariciftci}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Eid = {047402}, Journal = {Physical Review Letters}, Keywords = {conducting polymers; photoexcitation; time-domain analysis; vibrational states; time resolved spectra; light emitting devices}, Number = {4}, Numpages = {4}, Pages = {047402}, Publisher = {APS}, Title = {Time Domain Investigation of the Intrachain Vibrational Dynamics of a Prototypical Light-Emitting Conjugated Polymer}, Url = {http://link.aps.org/abstract/PRL/v90/e047402}, Volume = {90}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v90/e047402}} @article{lanzani:1116, Author = {G. Lanzani and G. Cerullo and D. Polli and A. Gambetta and M. Zavelani-Rossi and C. Gadermaier}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = {Physica Status Solidi (a)}, Number = {6}, Numpages = {16}, Pages = {1116-1131}, Publisher = {Wiley}, Title = {Photophysics of conjugated polymers: the contribution of ultrafast spectroscopy}, Volume = {201}, Year = {2004}} @article{las04:644, Author = {B. Lasorne and F. Gatti and E. Baloitcha and H.-D. Meyer and M. Desouter-Lecomte}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:03 -0600}, Journal = jcp, Pages = {644--654}, Title = {Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: {HCM} $\to$ {CNH}}, Volume = {121}, Year = {2004}} @article{Lauvergnat02, Author = {D. Lauvergnat and A. Nauts}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Month = {May}, Number = {19}, Pages = {8560}, Title = {Exact numerical computation of a kinetic energy operator in curvilinear coordinates}, Volume = {116}, Year = {2002}} @article{lavrentiev:9987, Author = {Mikhail Yu. Lavrentiev and William Barford and Simon J. Martin and Helen Daly and Robert J. Bursill}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {organic semiconductors; optical polymers; electronic structure; orbital calculations; triplet state; excitons; energy gap; solvation; binding energy; renormalisation; two-photon spectra; electroabsorption; nonlinear optics}, Number = {15}, Pages = {9987-9994}, Publisher = {APS}, Title = {Theoretical investigation of the low-lying electronic structure of poly(p-phenylene vinylene)}, Url = {http://link.aps.org/abstract/PRB/v59/p9987}, Volume = {59}, Year = {1999}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v59/p9987}} @book{Lee, Address = {New York}, Author = {P. M. Lee}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Keywords = {Mathematics - Mathematics}, Publisher = {Wiley}, Title = {Bayesian Statistics: An Introduction}, Year = {1997}} @article{lee:1593, Author = {S. T. Lee and X. Y. Hou and M. G. Mason and C. W. Tang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Journal = {Applied Physics Letters}, Keywords = {aluminium compounds; organic compounds; ultraviolet photoelectron spectra; Fermi level; interface states; charge exchange; magnesium; gold}, Number = {13}, Pages = {1593-1595}, Publisher = {AIP}, Title = {Energy level alignment at Alq/metal interfaces}, Url = {http://link.aip.org/link/?APL/72/1593/1}, Volume = {72}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/72/1593/1}} @article{lee:670, Author = {S. T. Lee and Y. M. Wang and X. Y. Hou and C. W. Tang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Journal = {Applied Physics Letters}, Keywords = {light emitting diodes; organic compounds; interface states; optical multilayers; LED displays}, Number = {5}, Pages = {670-672}, Publisher = {AIP}, Title = {Interfacial electronic structures in an organic light-emitting diode}, Url = {http://link.aip.org/link/?APL/74/670/1}, Volume = {74}, Year = {1999}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/74/670/1}} @article{Lee:2003, Abstract = {When meso-tetrakis(3-N-methylpyridiniumyl)porphyrin (m-TMPyP) formed a complex with poly[d(A-T)2], an intense bisignate excitonic CD in the Soret absorption region was obsd. The excitonic CD of the m-TMPyP-poly[d(A-T)2] complex is unique in that no other combination of the related porphyrin, namely, meso-tetrakis(n-N-methylpyridiniumyl)porphyrin (where n = 2, 4), and polynucleotide including calf thymus DNA, poly[d(G-C)2], poly[d(I-C)2], and poly(dA)-poly(dT), exhibits a comparable CD spectrum. From the [drug]/[DNA] ratio-dependence of the intensity and the shape of the CD spectrum, this porphyrin species is assigned to an extensively aggregated form. The extensively aggregated porphyrin disperses in 1 h after mixing to form moderately stacked porphyrin at a low mixing ratio. The magnitude of linear dichroism of the extensively aggregated porphyrin was small and the sign was neg. in the Soret band, which indicated that the mol. plane of porphyrin in the complex is strongly tilted. On the other hand, the mol. plane of porphyrin is almost parallel to the DNA base plane (perpendicular to the DNA helix axis) in the moderately stacked form. [on SciFinder (R)]}, Author = {Lee, Young-Ae and Lee, Soomin and Lee, Hyun Mee and Lee, Chong-Soon and Kim, Seog K.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:04 -0600}, Journal = {Journal of Biochemistry (Tokyo, Japan)}, Keywords = {DNA interaction tetrakis methylpyridiniumyl porphyrin TMPyP CD}, Owner = {bittner}, Pages = {343-349}, Timestamp = {2006.01.02}, Title = {Anomalous excitonic CD of meso-tetrakis(3-N-methylpyridiniumyl)porphyrin bound to poly[d(A-T)2].}, Volume = {133}, Year = {2003}} @article{Ewald, Author = {S. W. De Leeuw and J. W. Perram and M. L. Klein}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = {Proc. R. Soc. Lond.}, Pages = {27-56}, Title = {Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constant}, Volume = {A373}, Year = {1980}} @article{Leforestier91, Author = {C. Leforestier}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = {J. Comp. Phys.}, Pages = {59}, Title = {A Comparison of Different Propagation Schemes for the Time Dependent Schr{\"o}dinger Equation}, Volume = {94}, Year = {1991}} @article{lef91:59, Author = {C. Leforestier and R. H. Bisseling and C. Cerjan and M. D. Feit and R. Friesner and A. Guldenberg and A. Hammerich and G. Jolicard and W. Karrlein and H.-D. Meyer and N. Lipkin and O. Roncero and R. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = comp, Pages = {59}, Title = {A comparison of different propagation schemes for the time dependent {S}chr{\"o}dinger equation.}, Volume = {94}, Year = {1991}} @article{lef01:2099, Author = {C. Leforestier and A. Viel and F. Gatti and C. Munoz and C. Iung}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = jcp, Pages = {2099}, Title = {{T}he {J}acobi-{W}ilson method : {A} new approach to the description of polyatomic molecules.}, Volume = {114}, Year = {2001}} @article{lef83:2334, Author = {C. Leforestier and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = jcp, Pages = {2334}, Title = {Optical potential for laser induced dissociation}, Volume = {78}, Year = {1983}} @article{Leggett84, Author = {A. J. Leggett}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = {Phys. Rev. B}, Keywords = {QTM - Unknown - Cosmology}, Month = {August}, Pages = {1208}, Title = {Quantum tunneling in the presence of an arbitrary linear dissipation mechanism}, Volume = {30}, Year = {1984}} @article{Leggett87, Author = {A. J. Leggett and {\em et. al.}}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:05 -0600}, Journal = {Rev. Mod. Phys}, Keywords = {Cosmology}, Volume = {59}, Year = {1987}} @article{Lemaistre:1999, Author = {J. P. Lemaistre}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Journal of Luminescence}, Pages = {229-233}, Title = {Disorder induced exciton scattering in molecular aggregates}, Volume = {83-84}, Year = {1999}, Bdsk-File-1 = {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}} @article{Lemm00b, Author = {J. C. Lemm and J. Uhlig}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Stochastic}, Month = {May}, Number = {20}, Pages = {4517}, Title = {Hartree-Fock Approximation for Inverse Many-Body Problems}, Volume = {84}, Year = {2000}} @article{Lemm00a, Author = {J. C. Lemm and J. Uhlig and A. Weiguny}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Stochastic}, Month = {March}, Number = {10}, Pages = {2068}, Title = {Bayesian Approach to Inverse Quantum Statistics}, Volume = {84}, Year = {2000}} @article{Leszcz:2004, Author = {Jerzy Leszczynski and M.K. Skuhla}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {J. Comput. Chem}, Pages = {768--778}, Title = {TDDFT Investigation of Nucleic Acid Bases: Comparison with Experiments and Standard Approach.}, Volume = {25}, Year = {2004}} @article{Lewis:2005b, Abstract = {A review. Synthetic DNA conjugates in which one or both ends of a short duplex is capped by a stilbene chromophore have been prepd. and characterized crystallog. Selective excitation of the chromophore can be used to initiate electron transfer processes in which a nucleobase serves as either an electron donor or an electron acceptor. These processes include hole- and electron injection and hole migration. The dynamics of these processes and its dependence on distance, driving force, and base sequence have been investigated by means of femtosecond time-resolved spectroscopy. Duplexes with identical chromophores at both ends have been used to study both the dynamics of electron transfer processes and exciton coupling between the two chromophores by means of CD spectroscopy. Duplexes with different chromophores can also be used to study distance dependence of both electron transfer and exciton coupling. [on SciFinder (R)]}, Author = {Lewis, Frederick D.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Photochemistry and Photobiology}, Keywords = {review DNA mol photonics electron hole migration exciton coupling}, Owner = {bittner}, Pages = {65-72}, Timestamp = {2006.01.02}, Title = {DNA molecular photonics.}, Volume = {81}, Year = {2005}} @article{Lewis:2003, Abstract = {The optical properties of a family of duplex DNA conjugates possessing from 1 to 11 A:T base pairs and covalently attached stilbene chromophores at both ends have been investigated. As few as from two to four base pairs are needed to establish base-pair absorption and CD spectra similar to those of longer oligomers. The stilbene chromophores exhibit exciton-coupled CD, which can be obsd. even with 11 intervening base pairs, a distance of .apprx.40 .ANG.. The dependence of the sign and amplitude of these spectra reveals the ability of B-DNA to serve as a helical ruler. [on SciFinder (R)]}, Author = {Lewis, Frederick D. and Liu, Xiaoyang and Wu, Yansheng and Zuo, Xiaobing.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Journal of the American Chemical Society}, Keywords = {DNA electronic structure stilbene deriv exciton coupled CD}, Owner = {bittner}, Pages = {12729-12731}, Timestamp = {2006.01.02}, Title = {Stepwise Evolution of the Structure and Electronic Properties of DNA.}, Volume = {125}, Year = {2003}} @article{Lewis:2004, Abstract = {The synthesis, steady-state spectroscopy, and transient absorption spectroscopy of DNA conjugates possessing both stilbene electron donor and electron acceptor chromophores are described. These conjugates are proposed to form nicked DNA dumbbell structures in which a stilbenedicarboxamide acceptor and stilbenediether donor are sepd. by variable nos. of A-T or G-C base pairs. The nick is located either adjacent to one of the chromophores or between two of the bases. Thermal dissocn. profiles indicate that stable structures are formed possessing as few as two A-T base pairs. CD spectra in the base pair region are characteristic of B-DNA duplex structures, whereas CD spectra at longer wavelengths display two bands attributed to exciton coupling between the two stilbenes. The sign and intensity of these bands are dependent upon both the distance between the chromophores and the dihedral angle between their transition dipoles [De ~ Rda-2 sin(2q)]. Pulsed laser excitation of the stilbenediamide results in creation of the acceptor-donor radical ion pair, which decays via charge recombination. The dynamics of charge sepn. and charge recombination display an exponential distance dependence, similar to that obsd. previously for systems in which guanine serves as the electron donor. Unlike exciton coupling between the stilbenes, there is no apparent dependence of the charge-transfer rates upon the dihedral angle between donor and acceptor stilbenes. The introduction of a single G-C base pair between the donor and acceptor results in a change in the mechanism for charge sepn. from single step superexchange to hole hopping. [on SciFinder (R)]}, Author = {Lewis, Frederick D. and Wu, Yansheng and Zhang, Ligang and Zuo, Xiaobing and Hayes, Ryan T. and Wasielewski, Michael R.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Journal of the American Chemical Society}, Keywords = {DNA exciton coupling electron transfer stilbene donor acceptor}, Owner = {bittner}, Pages = {8206-8215}, Timestamp = {2006.01.02}, Title = {DNA-Mediated Exciton Coupling and Electron Transfer between Donor and Acceptor Stilbenes Separated by a Variable Number of Base Pairs.}, Volume = {126}, Year = {2004}} @article{Lewis:2005, Abstract = {The structure and properties of oligonucleotide conjugates possessing stilbenedicarboxamide chromophores at both ends of a poly(dA):poly(dT) base-pair domain of variable length have been investigated using a combination of spectroscopic and computational methods. These conjugates form capped hairpin structures in which one stilbene serves as a hairpin linker and the other as a hydrophobic end-cap. The capping stilbene stabilizes the hairpin structures by ca. 2 Kcal/mol, making possible the formation of a stable folded structure contg. a single A:T base pair. Exciton coupling between the stilbene chromophores has little effect on the absorption bands of capped hairpins. However, exciton-coupled CD (EC-CD) can be obsd. for capped hairpins possessing as many as 11 base pairs. Both the sign and intensity of the EC-CD spectrum are sensitive to the no. of base pairs sepg. the stilbene chromophores, as a consequence of the distance and angular dependence of exciton coupling. Calcd. spectra obtained using a static vector model based on canonical B-DNA are in good agreement with the exptl. spectra. Mol. dynamics simulations show that conformational fluctuations of the capped hairpins result in large deviations of the averaged spectra in both the pos. and neg. directions. These results demonstrate for the first time the ability of B-DNA to serve as a helical ruler for the study of electronic interactions between aligned chromophores. Furthermore, they provide important tests for atomistic theor. models of DNA. [on SciFinder (R)]}, Author = {Lewis, Frederick D. and Zhang, Ligang and Liu, Xiaoyang and Zuo, Xiaobing and Tiede, David M. and Long, Hai and Schatz, George C.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {Journal of the American Chemical Society}, Keywords = {DNA helix ruler conformation B electronic interaction chromophore}, Owner = {bittner}, Pages = {14445-14453}, Timestamp = {2006.01.02}, Title = {DNA as Helical Ruler: Exciton-Coupled Circular Dichroism in DNA Conjugates.}, Volume = {127}, Year = {2005}} @article{Lewis:2581, Author = {J. P Lewis and Th. E. Cheatham and Eugene B. Starikov and Hao Wang and Otto F. Stanley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:06 -0600}, Journal = {J. Phys. Chem. B}, Key = {DNA}, Pages = {2581}, Title = {Dynamically Amorphous Character of Electronic States in Poly(dA)-Poly(dT) DNA}, Volume = {107}, Year = {2003}} @inproceedings{lig92:185, Address = {New York}, Author = {J. C. Light}, Booktitle = {Time-Dependent Quantum Molecular Dynamics}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Editor = {J. Broeckhove and L. Lathouwers}, Pages = {185-199}, Publisher = {Plenum}, Title = {Discrete Variable Representations in Quantum Dynamics}, Year = {1992}} @incollection{Light92, Address = {New York}, Author = {J. C. Light}, Booktitle = {Time-Dependent Quantum Molecular Dynamics}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Editor = {J. Broeckhove and L. Lathouwers}, Pages = {185}, Publisher = {Plenum Press}, Title = {Discrete Variable Representations in Quantum Dynamics}, Year = {1992}} @article{lig00:263, Author = {J. C. Light and T. {Carrington Jr.}}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = acp, Pages = {263-310}, Title = {Discrete variable representations and their utilization}, Volume = {114}, Year = {2000}} @article{lig85:1400, Author = {J. C. Light and I. P. Hamilton and J. V. Lill}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = jcp, Pages = {1400}, Title = {Generalized discrete variable approximation in quantum mechanics.}, Volume = {82}, Year = {1985}} @article{Lill89, Author = {J. V. Lill and M. I. Haftel and G. H. Herling}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {May}, Pages = {4940}, Title = {Mixed state quantum mechanics in hydrodynamical form}, Volume = {90}, Year = {1989}} @article{Lill89a, Author = {J. V. Lill and M. L. Haftel and G. H. Herling}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {May}, Number = {4933}, Title = {A time-dependent variational principle and the time-dependent Hartree approximation in hydrodynamical form}, Volume = {90}, Year = {1989}} @article{lil86:900, Author = {J. V. Lill and G. A. Parker and J. C. Light}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = jcp, Pages = {900-910}, Title = {The discrete variable-finite basis approach to quantum scattering}, Volume = {85}, Year = {1986}} @article{lin:3495, Author = {L.-B. Lin and S. A. Jenekhe and P. M. Borsenberger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = {Applied Physics Letters}, Keywords = {ORGANIC COMPOUNDS; THIN FILMS; AMORPHOUS STATE; ELECTRON MOBILITY; HOPPING; PHOTOCONDUCTIVITY; COMPOSITE MATERIALS}, Number = {23}, Pages = {3495-3497}, Publisher = {AIP}, Title = {High electron mobility in bipolar composites of organic molecules}, Url = {http://link.aip.org/link/?APL/69/3495/1}, Volume = {69}, Year = {1996}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/69/3495/1}} @article{lin:864, Author = {Liang-Bih Lin and R. H. Young and M. G. Mason and S. A. Jenekhe and P. M. Borsenberger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Journal = {Applied Physics Letters}, Keywords = {organic compounds; photoconductivity; transients; hole mobility}, Number = {7}, Pages = {864-866}, Publisher = {AIP}, Title = {Transient photocurrents across organic--organic interfaces}, Url = {http://link.aip.org/link/?APL/72/864/1}, Volume = {72}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/72/864/1}} @conference{lin:150, Author = {Liang-Bih Lin and Ralph H. Young and M. G. Mason and Deniz E. Schildkraut and Samson A. Jenekhe and Paul M. Borsenberger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:07 -0600}, Editor = {Zakya H. Kafafi}, Journal = {Organic Light-Emitting Materials and Devices II}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {150-155}, Publisher = {SPIE}, Title = {Charge injection dynamics in organic multilayers}, Url = {http://link.aip.org/link/?PSI/3476/150/1}, Volume = {3476}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3476/150/1}} @conference{lin:27, Author = {Liang-Bih Lin and Ralph H. Young and David S. Weiss and Michel F. Molaire and Samson A. Jenekhe and Paul M. Borsenberger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Editor = {Yusheng Tim Tsai and Teh-Ming Kung and Jan Larsen}, Journal = {Input/Output and Imaging Technologies}, Location = {Taipei, Taiwan}, Number = {1}, Pages = {27-36}, Publisher = {SPIE}, Title = {Organic photoreceptors for digital electrophotography}, Url = {http://link.aip.org/link/?PSI/3422/27/1}, Volume = {3422}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3422/27/1}} @article{Lin:1974, Author = {S. H. Lin and H. Eyring}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {PNAS}, Pages = {3802}, Title = {Study of the Franck-Condon and Herzberg-Teller Approximations}, Url = {http://www.pnas.org/cgi/content/abstract/71/10/3802}, Volume = {71}, Year = {1974}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://www.pnas.org/cgi/content/abstract/71/10/3802}} @article{Lindblad:1976, Annote = {Abstract The notion of a quantum dynamical semigroup is defined using the concept of a completely positive map. An explicit form of a bounded generator of such a semigroup onB() is derived. This is a quantum analogue of the L{\'e}vy-Khinchin formula. As a result the general form of a large class of Markovian quantum-mechanical master equations is obtained.}, Author = {G. Lindblad}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {Comm. Math. Phys.}, Keywords = {Lindblad}, Number = {2}, Pages = {119-130}, Title = {On the generators of quantum dynamical semigroups}, Url = {10.1007/BF01608499}, Volume = {48}, Year = {1976}, Bdsk-Url-1 = {10.1007/BF01608499}} @article{lindle:712, Author = {J. R. Lindle and F. J. Bartoli and C. A. Hoffman and O.-K. Kim and Y. S. Lee and J. S. Shirk and Z. H. Kafafi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {Applied Physics Letters}, Keywords = {POLYMERS; THIN FILMS; OPTICAL SUSCEPTIBILITY; FOUR\&\#150;WAVE MIXING; CRYSTAL DOPING; PHENANTHROLINES}, Number = {8}, Pages = {712-714}, Publisher = {AIP}, Title = {Nonlinear optical properties of benzimidazobenzophenanthroline type ladder polymers}, Url = {http://link.aip.org/link/?APL/56/712/1}, Volume = {56}, Year = {1990}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/56/712/1}} @article{Liszka96, Author = {T. J. Liszka and C. A. M. Duarte and W. W. Tworzydlo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {Comput. Methods Appl. Mech. Engrg.}, Keywords = {Mathematics}, Pages = {263}, Volume = {139}, Year = {1996}} @article{liu95:2404, Author = {L. Liu and J.-Y. Fang and H. Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = jcp, Pages = {2404}, Title = {How many configurations are needed in a time-dependent {H}artree treatment of the photodissociation of {ICN}?}, Volume = {102}, Year = {1995}} @article{Longworth1966mc, Author = {J. W. Longworth and R. O Rahn and R. G. Schulman}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {J. Chem. Phys.}, Month = {2930-2939}, Title = {Luminescence of pyrimidines, purines, nucleosides and nucleotides at 77K. The effect of ionization and tautomerization}, Volume = {45}, Year = {1966}} @article{Lopreore00, Author = {C. L. Lopreore and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Bohmian}, Month = {July}, Pages = {895}, Title = {Lopreore and Wyatt Reply}, Volume = {85}, Year = {2000}} @article{Lopreore99, Author = {C. L. Lopreore and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:08 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Bohmian}, Month = {January}, Pages = {5190}, Title = {Quantum Wavepacket Dynamics with Trajectories}, Volume = {82}, Year = {1999}} @article{Lowdin:1963, Author = {P. O. L{\"o}wdin}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Journal = {Rev. Mod. Phys.}, Pages = {724}, Title = {Proton tunneling in DNA and its biological implications}, Volume = {35}, Year = {1963}} @article{x3DNA, Author = {Xiang-Jun Lu and Wilma K. Olson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Journal = {Nucleic Acids Research}, Number = {17}, Pages = {5108--5121}, Title = {3DNA: a software package for the analysis, rebuilding and visualization of three-dimensional nucleic acid structures}, Url = {http://rutchem.rutgers.edu/~xiangjun/3DNA/index.html}, Volume = {31}, Year = {2003}, Bdsk-Url-1 = {http://rutchem.rutgers.edu/~xiangjun/3DNA/index.html}} @article{Luchowski:2003, Abstract = {Low temp. absorption and Stark effect (electroabsorption) spectra of the cationic dye acridine orange (AO) were recorded in the wide spectral range comprising the lowest energy electronic transition at 20,150 cm-1 (496 nm) and the intense UV band at 36,800 cm -1 (272 nm). By changing the water, glycerol, and ethanol contents in the solvent, different proportions of monomers, dimers and higher oligomers can be obtained in frozen glasses, enabling the decompn. of spectra and detn. of dipole moment and polarizability changes for electronic transitions in AO monomer and dimer. These data are analyzed on grounds of exciton theory for a dimer in an elec. field. While the split UV transition fits the simplified theory well, the lower- and higher-energy dimer transitions in the VIS region exhibit significantly increased polarizability changes of opposite sign. Comparison with literature data for similar mol. systems points to orbital overlap as a source of the effects obsd. [on SciFinder (R)]}, Author = {Luchowski, Rafal and Krawczyk, Stanislaw.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Journal = {Chemical Physics}, Keywords = {acridine orange dye assocn dimer Stark effect spectra}, Owner = {bittner}, Pages = {155-166}, Timestamp = {2006.01.02}, Title = {Stark effect spectroscopy of exciton states in the dimer of acridine orange.}, Volume = {293}, Year = {2003}} @conference{luzzati:41, Author = {Silvia Luzzati and Attila Mozer and Patrick Denk and Markus C. Scharber and Marinella Catellani and Natalia O. Lupsac and Francesco Giacalone and Jose Luis Segura and Nazario Martin and Helmut Neugebauer and Niyazi S. Sariciftci}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Journal = {Organic Photovoltaics IV}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {41-48}, Publisher = {SPIE}, Title = {Tuning of the photoinduced charge transfer process in donor-acceptor double-cable copolymers}, Url = {http://link.aip.org/link/?PSI/5215/41/1}, Volume = {5215}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5215/41/1}} @article{MacDermott:1985, Abstract = {The effect of supercoiling on DNA optical activity is modeled by calcg. the ratio of the rotational strengths of supercoiled and nonsupercoiled helixes as a function of superhelix d., by using the free electron model of I. Tinoco and R. W. Woody (1964). This ratio drops to 0.7 at large neg. superhelix densities, in agreement with the strongly depressed CD spectra of chromatin and with calcns. by the exciton model. [on SciFinder (R)]}, Author = {MacDermott, A. J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Journal = {Molecular Physics}, Keywords = {DNA supercoiling rotational strength free electron; CD DNA supercoiling rotational strength}, Owner = {bittner}, Pages = {129-44}, Timestamp = {2006.01.02}, Title = {Rotational strength of a free electron on a superhelix.}, Volume = {55}, Year = {1985}} @book{MacLane88, Author = {S. MacLane and G. Birckhoff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Keywords = {Mathematics}, Publisher = {Chelsea Publishing Company}, Title = {Algebra}, Year = {1988}} @article{Maddox02, Author = {J. B. Maddox and E. R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:09 -0600}, Journal = {Phys. Rev. E}, Keywords = {Bohmian}, Month = {January}, Pages = {026143}, Title = {Quantum dissipation in unbounded systems}, Volume = {65}, Year = {2002}} @article{Maddox01, Author = {J. B. Maddox and E. R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {October}, Number = {14}, Pages = {6309}, Title = {Quantum relaxation dynamics with Bohmian trajectories}, Volume = {115}, Year = {2001}} @article{maddox:6465, Author = {Jeremy B. Maddox and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {statistical analysis; quantum statistical mechanics}, Number = {13}, Pages = {6465-6474}, Publisher = {AIP}, Title = {Estimating Bohm's quantum force using Bayesian statistics}, Url = {http://link.aip.org/link/?JCP/119/6465/1}, Volume = {119}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/119/6465/1}} @article{maddox:026143, Author = {Jeremy B. Maddox and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Eid = {026143}, Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)}, Keywords = {quantum theory; hydrodynamics; wave functions; quantum statistical mechanics; finite element analysis; master equation; matrix algebra; Markov processes; entropy}, Number = {2}, Numpages = {10}, Pages = {026143}, Publisher = {APS}, Title = {Quantum dissipation in unbounded systems}, Url = {http://link.aps.org/abstract/PRE/v65/e026143}, Volume = {65}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRE/v65/e026143}} @article{maddox:029902, Author = {Jeremy B. Maddox and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Eid = {029902}, Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)}, Keywords = {quantum theory; hydrodynamics; wave functions; quantum statistical mechanics; finite element analysis; master equation; matrix algebra; Markov processes; entropy}, Number = {2}, Numpages = {1}, Pages = {029902}, Publisher = {APS}, Title = {Erratum: Quantum dissipation in unbounded systems [Phys. Rev. E [bold 65], 026143 (2002)]}, Url = {http://link.aps.org/abstract/PRE/v66/e029902}, Volume = {66}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRE/v66/e029902}} @article{maddox:6309, Author = {Jeremy B. Maddox and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {quantum theory; Schrodinger equation}, Number = {14}, Pages = {6309-6316}, Publisher = {AIP}, Title = {Quantum relaxation dynamics using Bohmian trajectories}, Url = {http://link.aip.org/link/?JCP/115/6309/1}, Volume = {115}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/115/6309/1}} @article{Madelung26, Author = {E. Madelung}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {Z. Phys.}, Keywords = {Bohmian}, Pages = {322}, Volume = {40}, Year = {1926}} @article{mah01:5567, Author = {S. Mahapatra and G. A. Worth and H. -D. Meyer and L. S. Cederbaum and H. K{\"o}ppel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = jpca, Pages = {5567-5576}, Title = {The {${\widetilde{A}}^2$}{E} {${\widetilde{B}}^2$}{B}$_2$ photoelectron bands of allene beyond the linear coupling scheme: An {\em ab initio} dynamical study including all fifteen vibrational modes}, Volume = {105}, Year = {2001}} @article{Makri95, Author = {N. Makri}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {J. Math. Phys.}, Keywords = {Uncatagorized}, Pages = {2430}, Volume = {36}, Year = {1995}} @article{Makri87, Author = {N. Makri and W.H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {Chem. Phys. Lett.}, Keywords = {Uncatagorized}, Pages = {10}, Volume = {139}, Year = {1987}} @article{Makri88, Author = {N. Makri and W. H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {2170}, Volume = {89}, Year = {1988}} @article{manoj:4088, Author = {A. G. Manoj and A. A. Alagiriswamy and K. S. Narayan}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:10 -0600}, Journal = {Journal of Applied Physics}, Keywords = {conducting polymers; organic semiconductors; p-n heterojunctions; photoconductivity; thermally stimulated currents}, Number = {6}, Pages = {4088-4095}, Publisher = {AIP}, Title = {Photogenerated charge carrier transport in p-polymer n-polymer bilayer structures}, Url = {http://link.aip.org/link/?JAP/94/4088/1}, Volume = {94}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/94/4088/1}} @incollection{Manthe02, Address = {J{\"u}lich}, Author = {U. Manthe}, Booktitle = {Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Editor = {J. Grotendorst and D. Marx and A. Muramatsu}, Keywords = {WavePacket}, Pages = {361-375}, Publisher = {John von Neumann Institute for Computing}, Series = {NIC Series, Vol. 10}, Title = {Quantum Molecular Dynamics with Wave Packets}, Year = {2002}} @article{man96:6989, Author = {U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = jcp, Pages = {6989}, Title = {A time-dependent discrete variable representation for (multi-configuration) {H}artree methods.}, Volume = {105}, Year = {1996}} @article{man94:2652, Author = {U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = jcp, Pages = {2652}, Title = {{C}omment on ``{A} multiconfiguration time-dependent {H}artree approximation based on natural single-particle states''.}, Volume = {101}, Year = {1994}} @article{man99:647, Author = {U. Manthe and W. Bian and H.-J. Werner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = cpl, Pages = {647}, Title = {Quantum-mechanical calculation of the thermal rate constant for the {H}$_2$ $+$ {C}l $\to$ {H} $+$ {HC}l reaction.}, Volume = {313}, Year = {1999}} @article{man93:7, Author = {U. Manthe and A. D. Hammerich}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = cpl, Pages = {7}, Title = {Wavepacket Dynamics in Five Dimensions. {P}hotodissociation of Methyl Iodide}, Volume = {211}, Year = {1993}} @article{man96:71, Author = {U. Manthe and F. Matzkies}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = cpl, Pages = {71}, Title = {Iterative di\-ag\-o\-na\-li\-za\-tion within the multi-configurational time-dependent {H}artree approach: {C}alculation of vibrationally excited states and reaction rates}, Volume = {252}, Year = {1996}} @article{man92:3199, Author = {U. Manthe and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = jcp, Pages = {3199-3213}, Title = {Wave-Packet Dynamics within the Multiconfiguration {H}artree Framework: General Aspects and application to {NOCl}}, Volume = {97}, Year = {1992}} @article{man92:9062, Author = {U. Manthe and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = jcp, Pages = {9062-9071}, Title = {Multiconfigurational Time-Dependent {H}artree Study of Complex Dynamics: Photodissociation of {NO}$_2$}, Volume = {97}, Year = {1992}} @article{man00:5725, Author = {Uwe Manthe and Frank Matzkies}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = jcp, Pages = {5725}, Title = {Rotational effects in the {H$_2$+OH $\rightarrow$ H+H$_2$O} reaction rate: {F}ull-dimensional close-coupling results}, Volume = {113}, Year = {2000}} @article{Manuela:, Abstract = {[on SciFinder (R)]}, Author = {Manuela, Rist and Hans-Achim, Wagenknecht and Torsten, Fiebig}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:11 -0600}, Journal = {Chemphyschem : a European journal of chemical physics and physical chemistry}, Owner = {bittner}, Pages = {704-7.}, Timestamp = {2006.01.02}, Title = {Exciton and excimer formation in DNA at room temperature}, Volume = {3}} @article{mao:712, Author = {G. Mao and J. E. Fischer and F. E. Karasz and M. J. Winokur}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {ELASTIC SCATTERING; NEUTRON DIFFRACTION; PHENYLENE RADICALS; ORGANIC POLYMERS; TEMPERATURE RANGE 0273\&\#150;0400 K; TEMPERATURE RANGE 0400\&\#150;1000 K; ORGANIC COMPOUNDS; TORSION; ROTORS; DEUTERIUM COMPOUNDS; STRUCTURE FACTORS; MODIFICATIONS; CHAINS}, Number = {1}, Pages = {712-716}, Publisher = {AIP}, Title = {Nonplanarity and ring torsion in poly(p-phenylene vinylene). A neutron-diffraction study}, Url = {http://link.aip.org/link/?JCP/98/712/1}, Volume = {98}, Year = {1993}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/98/712/1}} @article{Maragakis:2002, Author = {P. Maragakis and R. L Barnett and E. Kaxiras and M. Elstner and Th. Frauenheim}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. B}, Pages = {2422104}, Title = {Electronic Structure of over stretched DNA}, Volume = {66}, Year = {2002}, Bdsk-File-1 = {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}} @article{marcus:599, Author = {Rudolph A. Marcus}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = {Reviews of Modern Physics}, Keywords = {ELECTRON TRANSFER; CHEMICAL REACTION KINETICS; AQUEOUS SOLUTIONS; CHARGE EXCHANGE; ELECTROCHEMISTRY; BIOLOGY; ISOTOPIC EXCHANGE; CHEMISTRY}, Number = {3}, Pages = {599-610}, Publisher = {APS}, Title = {Nobel Lecture: Electron transfer reactions in chemistry. Theory and experiment}, Url = {http://link.aps.org/abstract/RMP/v65/p599}, Volume = {65}, Year = {1993}, Bdsk-Url-1 = {http://link.aps.org/abstract/RMP/v65/p599}} @article{mar05:204310, Author = {A. Markmann and G.A. Worth and S. Mahapatra and H.-D. Meyer and H. K{\"o}ppel and L.S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = jcp, Pages = {204310}, Title = {Simulation of a complex spectrum: Interplay of five electronic states and 21 vibrational degrees of freedom in {C}$_5${H}$_4^+$.}, Volume = {123}, Year = {2005}} @article{Markovitsi:17130, Author = {Dimitra Markovitsi and Delphine Onidas and Thomas Gustovsson and Francis Talbot and Elodie Lazzarotto}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = {J. Am. Chem. Soc.}, Pages = {17130}, Title = {Collective behavior of Franck-Condon excited states and energy transfer in DNA double helices}, Volume = {127}, Year = {2005}} @article{Markovitsi:2006, Author = {Dimitra Markovitsi and Francis Talbot and Thomas Gustavsson and Delphine Onidas and Elodie Lazzarotto and Sylvie Marguet}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = {Nature}, Pages = {E7}, Title = {Molecular spectroscopy: Complexity of excited-state dynamics in DNA}, Url = {http://www.nature.com/nature/journal/v441/n7094/pdf/nature04903.pdf}, Volume = {441}, Year = {2006}, Bdsk-Url-1 = {http://www.nature.com/nature/journal/v441/n7094/pdf/nature04903.pdf}} @article{marks:1379, Author = {R N Marks and J J M Halls and D D C Bradley and R H Friend and A B Holmes}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:12 -0600}, Journal = {Journal of Physics: Condensed Matter}, Number = {7}, Pages = {1379-1394}, Title = {The Photovoltaic response in poly(p-phenylene vinylene thin-film devices}, Volume = {6}, Year = {1994}} @article{Martens02, Author = {C. 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Alden Mead}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Journal = {Physics Today}, Keywords = {nuclear size; length measurement; indeterminancy; gravitation; time measurement; personnel; professional communication}, Number = {11}, Pages = {15-15}, Publisher = {AIP}, Title = {Walking the Planck length through history}, Url = {http://link.aip.org/link/?PTO/54/15/1}, Volume = {54}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?PTO/54/15/1}} @article{mead:51, Author = {C. 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Alden Mead}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {electronic structure; wave functions; hamiltonian function; polyatomic molecules; energy; born\&\#150;oppenheimer approximation}, Number = {2}, Pages = {807-814}, Publisher = {AIP}, Title = {Electronic Hamiltonian, wave functions, and energies, and derivative coupling between Born--Oppenheimer states in the vicinity of a conical intersection@f[sup a]@f[sup )]}, Url = {http://link.aip.org/link/?JCP/78/807/1}, Volume = {78}, Year = {1983}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/78/807/1}} @article{mead:6090, Author = {C. Alden Mead and Donald G. 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Meier and U. Manthe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Journal = jcp, Pages = {5477}, Title = {Full-dimensional quantum study of the vibrational predissociation of the {I}$_2$...{N}e$_2$ cluster.}, Volume = {115}, Year = {2001}} @inproceedings{mey98:3011, Address = {Chichester}, Author = {H.-D. Meyer}, Booktitle = {{T}he {E}ncyclopedia of {C}omputational {C}hemistry}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Editor = {P. v. R. Schleyer and N. L. Allinger and T. Clark and J. Gasteiger and P. A. Kollman and {H. F. {Schaefer III}} and P. R. Schreiner}, Pages = {3011--3018}, Publisher = {John Wiley and Sons}, Title = {Multiconfiguration time-dependent {H}artree method}, Volume = {5}, Year = {1998}} @inproceedings{mey93:141, Address = {Dordrecht}, Author = {H.-D. Meyer and U. Manthe and L. S. Cederbaum}, Booktitle = {Numerical Grid Methods and their Application to Schr{\"o}dinger's Equation}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Editor = {C. Cerjan}, Pages = {141--152}, Publisher = {Kluwer Academic Publishers}, Title = {The Multi-Configuration {H}artree Approach}, Year = {1993}} @article{mey90:73, Author = {H.-D. Meyer and U. Manthe and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:15 -0600}, Journal = cpl, Pages = {73-78}, Title = {The Multi-Configurational Time-Dependent {H}artree Approach}, Volume = {165}, Year = {1990}} @article{mey03:251, Author = {H.-D. Meyer and G. A. Worth}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = TCA, Pages = {251--267}, Title = {{Q}uantum molecular dynamics: {P}ropagating wavepackets and density operators using the multiconfiguration time-dependent {H}artree ({MCTDH}) method}, Volume = {109}, Year = {2003}} @article{mey98:349, Author = {H.-D. Meyer and G. A. Worth and J.-Y. Fang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = jcp, Pages = {349}, Title = {{C}omment on ``{G}eneralization of the multiconfigurational time-dependent {H}artree method to nonadiabatic systems'' [{J}. {C}hem. {P}hys. 105, 9191 (1996)]}, Volume = {109}, Year = {1998}} @article{Miles:1969, Author = {Daniel W. Miles and Morris J. Robins and Roland K. Robins and Michael W. Winkley and Henry Eyring}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = {J. Am. Chem. Soc.}, Pages = {831}, Title = {Circular dichroism of nucleoside derivatives. V. Cytosine derivatives}, Volume = {91}, Year = {1969}} @article{Miller:2006, Author = {Jon D. Miller and Eugenie C. Scott and Shinji Okamoto}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Science}, Number = {11}, Pages = {765}, Title = {SCIENCE COMMUNICATION: Public Acceptance of Evolution}, Volume = {313}, Year = {2006}, Bdsk-File-1 = {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}} @article{Miller74, Author = {W. H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = {Adv. Chem. Phys.}, Keywords = {Semiclassical}, Pages = {65}, Volume = {25}, Year = {1974}} @article{mil00:15657, Author = {R. Milot and A. P. J. Jansen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = prb, Pages = {15657}, Title = {Bond breaking in vibrationally excited methane on transition-metal catalysts}, Volume = {61}, Year = {2000}} @article{mil00:179, Author = {R. Milot and A. P. J. Jansen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = ss, Pages = {179}, Title = {Energy distribution analysis of the wavepacket simulations of {CH}$_4$ and {CD}$_4$ scattering}, Volume = {452}, Year = {2000}} @article{mil98:1966, Author = {R. Milot and A. P. J. Jansen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Journal = jcp, Pages = {1966}, Title = {Ten dimensional wave\-packet simulations of methane scattering.}, Volume = {109}, Year = {1998}} @book{Thorne, Author = {Misner, Thorne, and Wheeler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:16 -0600}, Keywords = {Cosmology}, Title = {Gravitation}} @article{Miyata:1969, Abstract = {Singlet exciton states in double stranded homopolynucleotides and copolynucleotides are detd. within the framework of the Frenkel exciton model by taking into account the effect of configuration mixing between different exciton states. Interbase interactions are taken into account up to the distance of the order of 15 A. and they are calcd. directly by using the generalized charge ds. in the base pairs previously obtained. The exciton states of model DNA is also discussed in which 2 kinds of base pairs are arranged in random order. Generally the oscillator strength assocd. with the lowest exciton states decreases by the effect of configuration mixing. There can be found no weak p -> p* transition near 280 mm in poly (A-U) and copoly (U-A, A-U). In a model DNA the absorption intensity in the longwave side of the main absorption band depends linearly on G-C content. [on SciFinder (R)]}, Author = {Miyata, Takashi and Yomosa, Sigeo.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:17 -0600}, Journal = {Journal of the Physical Society of Japan}, Keywords = {exciton states DNA; DNA exciton states; nucleotides electron exciton}, Owner = {bittner}, Pages = {727-35}, Timestamp = {2006.01.02}, Title = {Exciton states in synthetic polynucleotides.}, Volume = {27}, Year = {1969}} @article{Miyata:1969a, Abstract = {p-electronic structures of the base pairs of DNA are detd. in the framework of the Frenkel-Davydov exciton theory including double excitations. The p-electron ds. in the ground and the excited states and the excitation energies and oscillator strengths are discussed in comparison with those of the component bases. The hyperchromic effect is found in the transition to the lowest excited states and the slight blue shift in the adimine-uracil pair and somewhat appreciable blue shift in the guanine-cytosine pair are found. Further, the interaction energies between pairing bases are estd. in terms of generalized charge ds. of component bases which were calcd. by using the best available p-electron M.O. obtained in previous work. The p-electronic stabilization energy of base pairs mainly results from the interaction between the permanent charges in the at. sites of the bases and it is found that the guamine-cytosine pair is more stable than the adenine-uracil pair. [on SciFinder (R)]}, Author = {Miyata, Takashi and Yomosa, Sigeo.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:17 -0600}, Journal = {Journal of the Physical Society of Japan}, Keywords = {DNA pi electron structure; pi electron structure DNA; electron structure pi DNA; guanine cytosine pi electrons; cytosine guanine pi electrons; adenine uracil pi electrons; uracil adenine pi electrons}, Owner = {bittner}, Pages = {720-7}, Timestamp = {2006.01.02}, Title = {p-Electronic structures of the base pairs of DNA.}, Volume = {27}, Year = {1969}} @article{Morikawa90, Author = {M. Morikawa}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:17 -0600}, Journal = {Phys. Rev. D}, Keywords = {Phase Space - Unknown - Cosmology}, Month = {October}, Pages = {2929}, Title = {Quantum decoherence and classical correlation in quantum mechanics}, Volume = {42}, Year = {1990}} @article{morteani:1708, Annote = {doi:10.1002/adma.200305618}, Author = {A. C. Morteani and Anop S. Dhoot and J.-S. Kim and C. Silva and Neil C. Greenham and Craig Murphy and E. Moons and S. Cina and J. H. Burroughes and R. H. Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Adv. Mater.}, Pages = {1708}, Title = {Barrier-free Electron-Hole Capture in Polymer Blend Heterojunctio Light-emitting Diodes}, Url = {http://dx.doi.org/10.1002/adma.200305618}, Volume = {15}, Year = {2003}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://dx.doi.org/10.1002/adma.200305618}} @article{morteani:247402, Author = {Arne C. Morteani and Paiboon Sreearunothai and Laura M. Herz and Richard H. Friend and Carlos Silva}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Eid = {247402}, Journal = {Physical Review Letters}, Keywords = {organic semiconductors; photoluminescence; excitons; charge transfer states; organic light emitting diodes; polymer blends; polymer films; semiconductor heterojunctions; time resolved spectra}, Number = {24}, Numpages = {4}, Pages = {247402}, Publisher = {APS}, Title = {Exciton Regeneration at Polymeric Semiconductor Heterojunctions}, Url = {http://link.aps.org/abstract/PRL/v92/e247402}, Volume = {92}, Year = {2004}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v92/e247402}} @article{Mouret:2006, Author = {St{\'e}phane Mouret and Caroline Baudouin and Marie Charveron and Alain Favier and Jean Cadet and Thierry Douki}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Proc Natl Acad Sci U S A}, Keywords = {DNA, triplet state}, Number = {37}, Pages = {13765}, Title = {Cyclobutane pyrimidine dimers are predominant DNA lesions in whole human skin exposed to UVA radiation}, Volume = {103}, Year = {2006}, Bdsk-File-1 = {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}} @article{muccini:10513, Author = {M. Muccini and E. Lunedei and C. Taliani and D. Beljonne and J. Cornil and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:17 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {organic compounds; visible spectra; Davydov splitting; wave functions; Franck-Condon factors}, Number = {23}, Pages = {10513-10520}, Publisher = {AIP}, Title = {Interchain interaction in a prototypical conjugated oligomer from polarized absorption at 4.2 K: alpha-sexithienyl single crystal}, Url = {http://link.aip.org/link/?JCP/109/10513/1}, Volume = {109}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/109/10513/1}} @article{muccini:6296, Author = {M. Muccini and M. Schneider and C. Taliani and M. Sokolowski and E. Umbach and D. Beljonne and J. Cornil and J. L. Bredas}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {organic compounds; excitons; Davydov splitting; wave functions; light absorption; localised states; quantum chemistry}, Number = {10}, Pages = {6296-6300}, Publisher = {APS}, Title = {Effect of wave-function delocalization on the exciton splitting in organic conjugated materials}, Url = {http://link.aps.org/abstract/PRB/v62/p6296}, Volume = {62}, Year = {2000}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v62/p6296}} @article{Muckerman88, Author = {J. T. Muckerman and R. D. Gilber and G. D. Billing}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {J. Chem. Phys.}, Month = {April}, Pages = {4779}, Title = {A classical path approach to reactive scattering. I. Use of hyperspherical coordinates}, Volume = {88}, Year = {1988}} @book{Mukamel95, Author = {S. Mukamel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Keywords = {Uncatagorized}, Publisher = {Oxford University Press}, Title = {Principles of Nonlinear Optical Spectroscopy}, Year = {1995}} @article{mukhopadhyay:9476, Author = {D. Mukhopadhyay and G. W. Hayden and Z. G. Soos}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {EXCITONS; DIMERS; ELECTRON TRANSFER; CHARGE EXCHANGE; ORGANIC POLYMERS; CHAINS; ELECTRONIC STRUCTURE; BAND THEORY; ELECTRON CORRELATION}, Number = {15}, Pages = {9476-9492}, Publisher = {APS}, Title = {Molecular-exciton approach to spin-charge crossovers in dimerized Hubbard and excitonic chains}, Url = {http://link.aps.org/abstract/PRB/v51/p9476}, Volume = {51}, Year = {1995}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v51/p9476}} @article{Muller98, Author = {U. M{\"u}ller and G. Stock}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {J. Phys. Chem}, Keywords = {Unknown}, Month = {May}, Number = {18}, Pages = {7516}, Title = {Consistent treatment of quantum-mechanical and classical degrees of freedom in mixed quantum-classical simulations}, Volume = {108}, Year = {1998}} @article{Murphy:1993, Author = {C. J. Murphy and M. A. Arkin and Y. Jenkins and N. D. Ghatlia nad S. Bossman and N. J. Turro and J. K. Barton}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {Science}, Keywords = {DNA}, Pages = {1025}, Title = {Long range photoinduced electron transfer through a DNA helix}, Volume = {262}, Year = {1993}} @article{Myers91, Author = {C. R. Myers and C. J. Umrigar and J. P. Sethna and J. D. Morgan III}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {Phys. Rev. A}, Keywords = {Uncatagorized}, Month = {November}, Pages = {5537}, Title = {Fock's expansion, Kato's cusp conditions, and the exponential ansatz}, Volume = {44}, Year = {1991}} @article{Nakajima:1958, Author = {S. Nakajima}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Prog. Theor. Phys}, Keywords = {transport processes, RELAXATION, Quantum Relaxation}, Number = {6}, Pages = {948}, Title = {On quantum theory of transport phenomena-steady diffusion}, Volume = {20}, Year = {1958}, Bdsk-File-1 = {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}} @article{nakamura:6878, Author = {J.-I. Nakamura and Chiho Yokoe and Kazuhiko Murata and Kohshin Takahashi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:18 -0600}, Journal = {Journal of Applied Physics}, Keywords = {solar cells; polymer films; organic semiconductors; semiconductor thin films; polymer structure; p-n heterojunctions; photoconductivity; excitons; conducting polymers}, Number = {11}, Pages = {6878-6883}, Publisher = {AIP}, Title = {Efficient organic solar cells by penetration of conjugated polymers into perylene pigments}, Url = {http://link.aip.org/link/?JAP/96/6878/1}, Volume = {96}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/96/6878/1}} @article{narayan:3938, Author = {K. S. Narayan and B. E. Taylor-Hamilton and R. J. Spry and J. B. Ferguson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = {Journal of Applied Physics}, Keywords = {POLYMERS; FILMS; PHOTOCONDUCTIVITY; CHAINS; ABSORPTION SPECTRA; SPECTRAL FUNCTIONS; PHOTOCURRENTS; TRAPS}, Number = {8}, Pages = {3938-3941}, Publisher = {AIP}, Title = {Photoconducting properties of a ladder polymer}, Url = {http://link.aip.org/link/?JAP/77/3938/1}, Volume = {77}, Year = {1995}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/77/3938/1}} @article{Nassar97, Author = {A. B. Nassar and J. M. F. Bassalo and P. T. S. Alencar and L. S. G. Cancela and M. Cattani}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = {Phys. Rev. E}, Keywords = {Bohmian}, Month = {July}, Pages = {1230}, Title = {Wave propagator via quantum fluid dynamics}, Volume = {56}, Year = {1997}} @article{nau02:719, Author = {H. Nauendorf and G.A. Worth and H.-D. Meyer and O. K{\"u}hn}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = jpc, Pages = {719--724}, Title = {Multi-configuration time-dependent {H}artree Dynamics on an ab initio Reaction Surface: {U}ltrafast Laser -Driven Proton Motion in {P}hthalic {A}cid {M}onomethylester.}, Volume = {106}, Year = {2002}} @misc{ORCA, Author = {F. Neese}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Title = {ORCA -- an ab initio, Density Functional and Semiempirical program package, Version 2.5. University of Bonn}, Year = {2006}} @article{nes03:24, Author = {M. Nest and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = jcp, Pages = {24}, Title = {Dissipative Quantum Dynamics of Anharmonic Oscillators with the {M}ulti-{C}onfiguration {T}ime-{D}ependent {H}artree ({MCTH}) {M}ethod}, Volume = {119}, Year = {2003}} @article{nes02:10499, Author = {M. Nest and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = jcp, Pages = {10499--10505}, Title = {Benchmark calculations on high-dimensional {H}enon-{H}eiles potentials with the {M}ulti-{C}onfiguration {T}ime-{D}ependent {H}artree ({MCTDH}) {M}ethod}, Volume = {117}, Year = {2002}} @conference{neugebauer:511, Author = {Helmut Neugebauer and Antonio Cravino and Gerald Zerza and Michele Maggini and Stefania Bucella and Gianfranco Scorrano and Mattias Svensson and Mats R. Andersson and N. Serdar Sariciftci}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = {ELECTRONIC PROPERTIES OF MOLECULAR NANOSTRUCTURES: XV International Winterschool/Euroconference}, Keywords = {solar cells; fullerenes; conducting polymers; absorption coefficients; EPR spectroscopy; infrared spectroscopy; electronic structure; polarons; voltammetry (chemical analysis)}, Location = {Kirchberg, Tirol (Austria)}, Number = {1}, Pages = {511-514}, Publisher = {AIP}, Title = {Fullerenes as functional moieties in conjugated polymers: Towards donor-acceptor double cable polymeric materials}, Url = {http://link.aip.org/link/?APC/591/511/1}, Volume = {591}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?APC/591/511/1}} @article{nguyen:4068, Author = {Thuc-Quyen Nguyen and Vinh Doan and Benjamin J. Schwartz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:19 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymer solutions; aggregation; light scattering; photoluminescence; visible spectra}, Number = {8}, Pages = {4068-4078}, Publisher = {AIP}, Title = {Conjugated polymer aggregates in solution: Control of interchain interactions}, Url = {http://link.aip.org/link/?JCP/110/4068/1}, Volume = {110}, Year = {1999}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/110/4068/1}} @article{Nielsen00, Author = {S. Nielsen and R. Kapral and G. Ciccotti}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Unknown - Uncatagorized}, Month = {April}, Number = {15}, Pages = {6543}, Title = {Mixed quantum-classical surface hopping dynamics}, Volume = {112}, Year = {2000}} @book{Nitzan:2006, Address = {New York}, Author = {Abraham Nitzan}, Booktitle = {Chemical Dynamics in Condensed Phases}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Edition = {1}, Publisher = {Oxford University Press}, Title = {Chemical Dynamics in Condensed Phases}, Year = {2006}} @conference{nunzi:41, Author = {Jean-Michel Nunzi and Carole Sentein and Celine Fiorini-Debuisschert and Andre Lorin and Paul Raimond}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Editor = {Zakya H. Kafafi}, Journal = {Organic Photovoltaics}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {41-47}, Publisher = {SPIE}, Title = {Oriented polymer photovoltaic cells}, Url = {http://link.aip.org/link/?PSI/4108/41/1}, Volume = {4108}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/4108/41/1}} @conference{nunzi:139, Author = {Jean-Michel Nunzi and Lionel Sicot and Carole Sentein and Celine Fiorini-Debuisschert}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Editor = {Bernard Kippelen and Donal D. C. Bradley}, Journal = {Polymer Photonic Devices}, Location = {San Jose, CA, USA}, Number = {1}, Pages = {139-146}, Publisher = {SPIE}, Title = {Orientation-induced molecular rectification in polymer films: improving the efficiency of polymer photovoltaic cells}, Url = {http://link.aip.org/link/?PSI/3281/139/1}, Volume = {3281}, Year = {1998}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3281/139/1}} @conference{offermans:59380A, Author = {Ton Offermans and Paul A. van Hal and Marc M. Koetse and Stefan C. J. Meskers and Rene A. J. Janssen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Eid = {59380A}, Journal = {Organic Photovoltaics VI}, Location = {San Diego, CA, USA}, Number = {1}, Numpages = {6}, Pages = {59380A}, Publisher = {SPIE}, Title = {Exciplex dynamics in a conjugated polymer blend of MDMO-PPV and PCNEPV}, Url = {http://link.aip.org/link/?PSI/5938/59380A/1}, Volume = {5938}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5938/59380A/1}} @article{offermans:045213, Author = {Ton Offermans and Paul A. van Hal and Stefan C. J. Meskers and Marc M. Koetse and Rene A. J. Janssen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Eid = {045213}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {excimers; polymer blends; conducting polymers; organic semiconductors; photoexcitation; photovoltaic effects; electron-hole recombination; composite materials; luminescence; ultraviolet spectra; visible spectra}, Number = {4}, Numpages = {11}, Pages = {045213}, Publisher = {APS}, Title = {Exciplex dynamics in a blend of pi-conjugated polymers with electron donating and accepting properties: MDMO-PPV and PCNEPV}, Url = {http://link.aps.org/abstract/PRB/v72/e045213}, Volume = {72}, Year = {2005}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v72/e045213}} @article{TakahitoOhshiro01032006, Abstract = {Molecular tips in scanning tunneling microscopy can directly detect intermolecular electron tunneling between sample and tip molecules and reveal the tunneling facilitation through chemical interactions that provide overlap of respective electronic wave functions, that is, hydrogen-bond, metal-coordination-bond, and charge-transfer interactions. Nucleobase molecular tips were prepared by chemical modification of underlying metal tips with thiol derivatives of adenine, guanine, cytosine, and uracil and the outmost single nucleobase adsorbate probes intermolecular electron tunneling to or from a sample nucleobase molecule. We found that the electron tunneling between a sample nucleobase and its complementary nucleobase molecular tip was much facilitated compared with its noncomplementary counterpart. The complementary nucleobase tip was thereby capable of electrically pinpointing each nucleobase. Chemically selective imaging using molecular tips may be coined ``intermolecular tunneling microscopy'' as its principle goes and is of general significance for novel molecular imaging of chemical identities at the membrane and solid surfaces. }, Author = {Ohshiro, Takahito and Umezawa, Yoshio}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Doi = {10.1073/pnas.0506130103}, Eprint = {http://www.pnas.org/cgi/reprint/103/1/10.pdf}, Journal = {PNAS}, Number = {1}, Pages = {10-14}, Title = {{Complementary base-pair-facilitated electron tunneling for electrically pinpointing complementary nucleobases}}, Url = {http://www.pnas.org/cgi/content/abstract/103/1/10}, Volume = {103}, Year = {2006}, Bdsk-Url-1 = {http://www.pnas.org/cgi/content/abstract/103/1/10}, Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0506130103}, Bdsk-Url-3 = {http://dx.doi.org/10.1073/pnas.0506130103}} @article{Olariu87, Author = {S. Olariu}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:20 -0600}, Journal = {Phys. Rev. A}, Keywords = {Unknown - g}, Month = {August}, Pages = {1874}, Title = {Solutions of the Fokker-Planck equations appearing in the stochastic representation of nonrelativistic quantum mechanics}, Volume = {36}, Year = {1987}} @article{Omerzu:2004, Author = {A. Omerzu and M. Licer and T. Mertelj and V. V. Kabanov and D. Mihailovic}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Physical Review Letters}, Number = {21}, Pages = {218101}, Title = {Hole interactions with molecular vibrations in DNA}, Volume = {93}, Year = {2004}, Bdsk-File-1 = {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}} @book{Omnes94, Author = {R. Omnes}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Keywords = {QuantumMechanics - Cosmology}, Publisher = {Princeton Univ. Press}, Title = {The Interpretation of Quantum Mechanics}, Year = {1994}} @article{Oriols98, Author = {X. Oriols and J. J. Garc{\'\i}a and F. Mart{\'\i}n and J. Su{\~n}{\'e} and T. Gonz{\`a}lez and J. Mateos and D. Pardo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Journal = {App. Phys. Lett.}, Keywords = {Bohm Theory - Bohmian}, Month = {February}, Pages = {806}, Title = {Bohm trajectories for the Monte Carlo simulation of quantum-based devices}, Volume = {72}, Year = {1998}} @article{orlandi:4513, Author = {G. Orlandi and W. Siebrand}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {The Journal of Chemical Physics}, Number = {10}, Pages = {4513-4523}, Publisher = {AIP}, Title = {Theory of vibronic intensity borrowing. Comparison of Herzberg-Teller and Born-Oppenheimer coupling}, Url = {http://link.aip.org/link/?JCP/58/4513/1}, Volume = {58}, Year = {1973}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/58/4513/1}} @article{osaheni:3112, Author = {John A. Osaheni and Samson A. Jenekhe and Jerry Perlstein}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Journal = {Applied Physics Letters}, Keywords = {POLYMERS; PHOTOCONDUCTORS; CHARGE CARRIERS; QUANTUM EFFICIENCY; PHOTOSENSITIVITY; BILAYERS; EXCIPLEX; DISSOCIATION}, Number = {23}, Pages = {3112-3114}, Publisher = {AIP}, Title = {Efficient photogeneration of charge carriers in a layered photoreceptor using a conjugated polymer}, Url = {http://link.aip.org/link/?APL/64/3112/1}, Volume = {64}, Year = {1994}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/64/3112/1}} @article{osterbacka:8905, Author = {R. Osterbacka and M. Wohlgenannt and M. Shkunov and D. Chinn and Z. V. g}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymer films; binding energy; excitons; polarons; laser beam effects; electroabsorption; triplet state; nonradiative transitions; photoluminescence}, Number = {19}, Pages = {8905-8916}, Publisher = {AIP}, Title = {Excitons, polarons, and laser action in poly(p-phenylene vinylene) films}, Url = {http://link.aip.org/link/?JCP/118/8905/1}, Volume = {118}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/8905/1}} @article{Palsson:2002, Abstract = {The photophysical properties of a new light-emitting co-polymer of fluorene and di-alkoxyphenylene are reported. A range of optical spectroscopies were applied to both solutions and solid films, and comparing the results gives information about the excited states in each phase. Several important differences are observed. The peak of the absorption spectrum is at 350 nm in both solutions and films, but the films show additional absorption features at 450 and 560 nm. The luminescence of the solution phase has a maximum at 420 nm while the films exhibit two maxima with the stronger one located at 420 nm and the weaker one at 540 nm. The photoluminescence quantum yield of the solutions was found to be 45--60%, depending upon the solvent used, and was reduced to 7% for films. Time-resolved luminescence of the solutions revealed a dominant 500 ps decay time upon detection at 420 nm. For redder detection, the excited state decay became bi-exponential with an additional strong nanosecond component that was sensitive to solvent polarity. Time-resolved luminescence of films revealed more complex excited state dynamics. In the blue, the decay is dominated by a 40 ps phase followed by weaker 400 ps and 3 ns components. These observations point to the formation of stronger electronic inter-chain interactions aggregate, when going from the liquid to the solid phase.}, Author = {Lars-Olof P{\r{a}}lsson and Changsheng Wang and David L. Russell and Andrew P. Monkman and Martin R. Bryce and Garry Rumbles and Ifor D. W. Samuel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Journal = {Chem. Phys}, Keywords = {Absorption; Fluorescence; Fluorene co-polymer; Inter-chain aggregate; Time-resolved luminescence}, Pages = {229-237}, Title = {Photophysics of a fluorene co-polymer in solution and films}, Url = {http://www.sciencedirect.com/science?_ob=ArticleListURL\&_method=list\&_ArticleListID=454162073\&_sort=d\&view=c\&_acct=C000050221\&_version=1\&_urlVersion=0\&_userid=10\&md5=4b260383b819710c2aaa4c9a7e6ad1df}, Volume = {279}, Year = {2002}, Bdsk-Url-1 = {http://www.sciencedirect.com/science?_ob=ArticleListURL%5C&_method=list%5C&_ArticleListID=454162073%5C&_sort=d%5C&view=c%5C&_acct=C000050221%5C&_version=1%5C&_urlVersion=0%5C&_userid=10%5C&md5=4b260383b819710c2aaa4c9a7e6ad1df}} @article{pacher:7057, Author = {T. Pacher and C. A. Mead and L. S. Cederbaum and H. Koppel}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:21 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {MOLECULES; BORN\&\#150;OPPENHEIMER APPROXIMATION; WAVE FUNCTIONS; EIGENSTATES; ADIABATIC APPROXIMATION; GAUGE INVARIANCE}, Number = {11}, Pages = {7057-7062}, Publisher = {AIP}, Title = {Gauge theory and quasidiabatic states in molecular physics}, Url = {http://link.aip.org/link/?JCP/91/7057/1}, Volume = {91}, Year = {1989}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/91/7057/1}} @article{Pahl02, Author = {E. Pahl and O. V. Prezhdo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {May}, Number = {20}, Pages = {8704}, Title = {Extension of quantized Hamilton dynamics to higher orders}, Volume = {116}, Year = {2002}} @article{pariser:767, Author = {Rudolph Pariser and Robert G. Parr}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {The Journal of Chemical Physics}, Number = {5}, Pages = {767-776}, Publisher = {AIP}, Title = {A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II}, Volume = {21}, Year = {1953}} @article{par86:5870, Author = {T. J. Park and J. C. Light}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = jcp, Pages = {5870}, Title = {Unitary quantum time evolution by iterative {L}anczos reduction.}, Volume = {85}, Year = {1986}} @article{Pavon96, Author = {M. Pavon}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {J. Math. Phys.}, Keywords = {QTM - Phase Space - Semiclassical}, Month = {July}, Pages = {3375}, Title = {Lagrangian dynamics for classical, Brownian, and quantum mechanical particles}, Volume = {37}, Year = {1996}} @article{Pecourt, Author = {Jean-Marc Pecourt and Jorge Peon and Bern Kohler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {J. Am. Chem. Soc.}, Title = {DNA Excited-State Dynamics: Ultrafast Internal Conversion and Vibrational Cooling in a Series of Nucleosides}, Volume = {123}, Year = {2001}} @article{Pecourt:2000, Author = {Jean-Marc Pecourt and Jorge Peon and Bern Kohler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {J. Am. Chem. Soc.}, Title = {Ultrafast Internal Conversion of Electronically Excited RNA and DNA Nucleosides in Water}, Volume = {122}, Year = {2000}} @article{Pekerie58, Author = {C. L. Pekerie}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {Phys. Rev.}, Keywords = {Stochastic}, Month = {December}, Pages = {1649}, Title = {Ground State of Two-Electron Atoms}, Volume = {112}, Year = {1958}} @article{Peon:2001, Author = {Jorge Peon and Ahmed H. Zewail}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:22 -0600}, Journal = {Chemical Physics Letters}, Number = {3-4}, Pages = {255--262}, Title = {DNA/RNA nucleotides and nucleosides: direct measurement of excited-state lifetimes by femtosecond fluorescence up-conversion}, Volume = {348}, Year = {2001}} @article{Pereverzev:2006a, Author = {A. Pereverzev and E. R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Physical Chemistry Chemical Physics}, Pages = {1378}, Title = {Exactly solvable approximating models for Rabi Hamiltonian dynamics,}, Volume = {8}, Year = {2006}, Bdsk-File-1 = {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}} @article{Pereverzev:2006, Author = {A. Pereverzev and Eric R. Bittner and I. Burghardt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = {J. Chem. Phys-in preparation}, Keywords = {conical intersections}, Title = {Effective system-bath decompositions for non-adiabatic dynamics}, Year = {2006}} @article{pereverzev:104906, Author = {Andrey Pereverzev and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Eid = {104906}, Journal = {The Journal of Chemical Physics}, Keywords = {organic semiconductors; polymers; electron-phonon interactions; mesoscopic systems; master equation; band structure; charge exchange}, Number = {10}, Numpages = {7}, Pages = {104906}, Publisher = {AIP}, Title = {Time-convolutionless master equation for mesoscopic electron-phonon systems}, Url = {http://link.aip.org/link/?JCP/125/104906/1}, Volume = {125}, Year = {2006}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/125/104906/1}} @article{pereverzev:244903, Author = {Andrey Pereverzev and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Eid = {244903}, Journal = {The Journal of Chemical Physics}, Keywords = {diffusion; Gaussian noise; mathematical operators}, Number = {24}, Numpages = {6}, Pages = {244903}, Publisher = {AIP}, Title = {Quantum transport in chains with noisy off-diagonal couplings}, Url = {http://link.aip.org/link/?JCP/123/244903/1}, Volume = {123}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/244903/1}} @article{pet04:91, Author = {M. Petkovic and O. K{\"u}hn}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = cp, Pages = {91}, Title = {Ultrafast wave packet dynamics of an intramolecular hydrogen transfer system: {F}rom vrbrational motion to reaction control}, Volume = {304}, Year = {2004}} @article{pet03:8458, Author = {M. Petkovic and O. K{\"u}hn}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = jpca, Pages = {8458--8466}, Title = {Multidimensional Hydrogen Bond Dynamics in {S}alicylaldimine: {C}oherent Nuclear Wave Packet Motion versus Intramolecular Vibrational Energy Redistribution}, Volume = {107}, Year = {2003}} @article{Chimera, Author = {Pettersen, E.F. and Goddard, T.D. and Huang, C.C. and Couch, G.S. and Greenblatt, D.M. and Meng, E.C. and Ferrin, T.E}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = {J. Comput. Chem.}, Number = {13}, Pages = {1605-1612}, Title = {UCSF Chimera - A Visualization System for Exploratory Research and Analysis}, Url = {http://www.cgl.ucsf.edu/chimera/docs/credits.html}, Volume = {25}, Year = {2004}, Bdsk-Url-1 = {http://www.cgl.ucsf.edu/chimera/docs/credits.html}} @article{Phan99, Author = {M. Q. Phan and H. Rabitz}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Unknown - ChemPhys}, Month = {January}, Pages = {34}, Title = {A self-guided algorithm for learning control of quantum-mechanical systems}, Volume = {110}, Year = {1999}} @article{pichler:7155, Author = {K Pichler and D A Halliday and D D C Bradley and P L Burn and R H Friend and A B Holmes}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Journal = {Journal of Physics: Condensed Matter}, Pages = {7155-7172}, Title = {Optical Spectroscopy of Highly Ordered poly(p-phenylene vinylene)}, Url = {http://stacks.iop.org/0953-8984/5/7155}, Volume = {5}, Year = {1993}, Bdsk-Url-1 = {http://stacks.iop.org/0953-8984/5/7155}} @article{pinner:014504, Author = {D. J. Pinner and R. H. Friend and N. Tessler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:23 -0600}, Eid = {014504}, Journal = {Journal of Applied Physics}, Keywords = {polymer blends; organic light emitting diodes; electroluminescence; electron mobility; semiconductor device models; electron-hole recombination}, Number = {1}, Numpages = {6}, Pages = {014504}, Publisher = {AIP}, Title = {The use of electrical pulses to study the physics of bilayer organic light-emitting diodes}, Url = {http://link.aip.org/link/?JAP/97/014504/1}, Volume = {97}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/97/014504/1}} @article{Polavieja96, Author = {G. G. de Polavieja}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {Phys. Rev. A}, Keywords = {Bohm Theory - Bohmian}, Month = {April}, Pages = {2059}, Title = {Exponential divergence of neighboring quantal trajectories}, Volume = {53}, Year = {1996}} @article{Pollak01, Author = {E. Pollak and J. Shao}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Month = {October}, Number = {15}, Pages = {6876}, Title = {A note on quantum thermodynamic rate theories}, Volume = {115}, Year = {2001}} @book{Pope:1999, Author = {M. Pope and C. E. Swenberg}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Edition = {2nd}, Publisher = {Oxford University Press}, Title = {Electronic Processes in Organic Crystals and Polymers}, Year = {1999}} @article{pople:1375, Author = {John A. Pople}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {Transactions of the Faraday Society}, Number = {5}, Pages = {1375-}, Title = {Electron Interaction in Unsaturated Hydrocarbons}, Volume = {49}, Year = {1953}} @article{popovic:694, Author = {Zoran D. Popovic}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {Applied Physics Letters}, Keywords = {SCHOTTKY BARRIER DIODES; ORGANIC SEMICONDUCTORS; CAPACITORS; FILMS; TRAPPING; IMPURITIES; IONIZATION; P\&\#150;N JUNCTIONS; FREQUENCY DEPENDENCE; SPACE CHARGE; QUANTITY RATIO; LAYERS}, Number = {10}, Pages = {694-696}, Publisher = {AIP}, Title = {Capacitance measurements on organic-semiconductor Schottky barriers---A new approach}, Url = {http://link.aip.org/link/?APL/34/694/1}, Volume = {34}, Year = {1979}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/34/694/1}} @article{porter:241, Author = {George Porter}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {Nobel Lecture}, Numpages = {23}, Pages = {241-263}, Title = {Flash photolysis and some of its applications}, Year = {1967}} @book{Press92, Author = {W. H. Press and S. A. Teukolsky and W. T. Vetterling and B. P. Flannery}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Keywords = {Mathematics}, Publisher = {Cambridge Univ. Press}, Title = {Numerical Recipies in C, 2nd Ed.}, Year = {1992}} @article{Prezhdo99, Author = {O. V. Prezhdo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:24 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {November}, Number = {18}, Pages = {8366}, Title = {Mean field approximation for the stochastic Schr{\"o}dinger equation}, Volume = {111}, Year = {1999}} @article{Prezhdo01, Author = {O. V. Prezhdo and C. Brooksby}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Bohmian}, Month = {April}, Number = {15}, Pages = {3215}, Title = {Quantum Backreaction through the Bohmian Particle}, Volume = {86}, Year = {2001}} @article{Prezhdo02, Author = {O. V. Prezhdo and Y. V. Pereverzev}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {March}, Number = {11}, Pages = {4450}, Title = {Quantized Hamilton dynamics for a general potential}, Volume = {116}, Year = {2002}} @article{Prezhdo00, Author = {O. V. Prezhdo and Y. V. Pereverzev}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Semiclassical}, Month = {October}, Number = {16}, Pages = {6557}, Title = {Quantized Hamilton dynamics}, Volume = {113}, Year = {2000}} @article{raa99:8759, Author = {A. Raab and I. Burghardt and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = jcp, Pages = {8759--8772}, Title = {The multiconfiguration time-dependent {H}artree method generalized to the propagation of density operators.}, Volume = {111}, Year = {1999}} @article{raa00:10718, Author = {A. Raab and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = jcp, Pages = {10718--10729}, Title = {A numerical study on the performance of the multiconfiguration time-dependent {H}artree method for density operators.}, Volume = {112}, Year = {2000}} @article{raa00:358, Author = {A. Raab and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = {Theo.\ Chem.\ Acc.}, Pages = {358--369}, Title = {Multi-configurational expansions of density operators: {E}quations of motion and their properties.}, Volume = {104}, Year = {2000}} @article{raa99:936, Author = {A. Raab and G. Worth and H.-D. Meyer and L. S. Cederbaum}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:25 -0600}, Journal = jcp, Pages = {936--946}, Title = {Molecular dynamics of pyrazine after excitation to the {S}$_2$ electronic state using a realistic 24-mode model {H}amiltonian}, Volume = {110}, Year = {1999}} @article{Raksanyi:1978, Author = {K. Raksanyi and I. Foldvary and J. Fidy, L. Kittler}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:26 -0600}, Journal = {Biopolymers}, Owner = {Arek}, Pages = {887-896}, Timestamp = {2007.06.27}, Title = {The Electronic Structure of Cytosine, 5-Azacytosine, and 6-Azacytosine}, Volume = {17}, Year = {1978}} @article{Ramon:2006, Author = {John Glenn S Ramon and Eric R. Bittner}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:26 -0600}, Journal = {J. Phys. Chem. B}, Keywords = {polymers; organic semiconductors; semiconductor heterojunctions; excitons; electronic density of states; excited states; binding energy; vibronic states; vibrational modes; charge transfer states}, Numpages = {9}, Publisher = {APS}, Title = {Exciton Regeneration at Polymeric Semiconductor Heterojunctions Dynamics in Model Donor-Acceptor Polymer Heterojunctions: II. Excited State Relaxation Pathways}, Year = {2006}} @article{1997PhRvE..55.5147R, Adsnote = {Provided by the Smithsonian/NASA Astrophysics Data System}, Adsurl = {http://adsabs.harvard.edu/cgi-bin/nph-bib_query?bibcode=1997PhRvE..55.5147R\&db_key=PHY}, Author = {Rau, J.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-05-07 07:20:38 -0500}, Doi = {10.1103/PhysRevE.55.5147}, Eprint = {cond-mat/9612129}, Journal = {Phys. Rev. E}, Month = may, Pages = {5147-5156}, Title = {Transport theory yields renormalization-group equations}, Volume = {55}, Year = {1997}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.55.5147}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.55.5147}} @article{PhysRevB.21.2448, Author = {Reineker, P. and K{\"u}hne, R.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Doi = {10.1103/PhysRevB.21.2448}, Journal = {Phys. Rev. B}, Month = {Mar}, Number = {6}, Numpages = {13}, Pages = {2448--2461}, Publisher = {American Physical Society}, Title = {Exact derivation and solution of the Nakajima-Zwanzig generalized master equation and discussion of approximate treatments for the coupled coherent and incoherent exciton motion}, Volume = {21}, Year = {1980}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.21.2448}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.21.2448}} @article{ren:164704, Author = {Wei Ren and Jian Wang and Zhongshui Ma and Hong Guo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Eid = {164704}, Journal = {The Journal of Chemical Physics}, Keywords = {DNA; bioelectric phenomena; molecular biophysics; tight-binding calculations; electric admittance}, Number = {16}, Numpages = {5}, Pages = {164704}, Publisher = {AIP}, Title = {Dynamical conductance of model DNA sequences}, Url = {http://link.aip.org/link/?JCP/125/164704/1}, Volume = {125}, Year = {2006}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/125/164704/1}} @article{res02:32716, Author = {T. N. Rescigno and W. A. Isaacs and A. E. Orel and H.-D. Meyer and C. W. McCurdy}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:27 -0600}, Journal = pra, Pages = {32716}, Title = {Theoretical study of resonant excitation of {CO}$_2$ by electron impact}, Volume = {65}, Year = {2002}} @article{reucroft:5218, Author = {P. J. Reucroft and K. Takahashi and H. Ullal}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:27 -0600}, Journal = {Journal of Applied Physics}, Keywords = {DIRECT ENERGY CONVERSION; FILMS; EFFICIENCY; PHOTOVOLTAIC CONVERSION; CHARGE CARRIERS; ORGANIC POLYMERS; PHOTOVOLTAIC EFFECT}, Number = {12}, Pages = {5218-5223}, Publisher = {AIP}, Title = {Theoretical and experimental photovoltaic energy conversion in an organic film system}, Url = {http://link.aip.org/link/?JAP/46/5218/1}, Volume = {46}, Year = {1975}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/46/5218/1}} @article{rice:2504, Author = {M. J. Rice and Yu. N. Gartstein}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:27 -0600}, Journal = {Physical Review Letters}, Keywords = {POLYMERS; OPTICAL PROPERTIES; ELECTRONIC STRUCTURE; EXCITONS; INTERBAND TRANSITIONS; DIPOLE INTERACTIONS; BAND STRUCTURE}, Number = {18}, Pages = {2504-2507}, Publisher = {APS}, Title = {Excitons and interband excitations in conducting polymers based on phenylene}, Url = {http://link.aps.org/abstract/PRL/v73/p2504}, Volume = {73}, Year = {1994}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v73/p2504}} @article{Richardson97, Author = {S. Richardson and P. J. Green}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:27 -0600}, Journal = {J. Roy. Stat. Soc. Ser. B}, Keywords = {Mathematics}, Pages = {731}, Title = {On Bayesian Analysis of Mixtures with an Unknown Number of Components}, Volume = {59}, Year = {1997}} @article{ric04:1306, Author = {F. Richter and M. Hochlaf and P. Rosmus and F. Gatti and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:28 -0600}, Journal = jcp, Pages = {1306--1317}, Title = {A study of mode--selective trans--cis isomerisation in {HONO} using ab initio methodology}, Volume = {120}, Year = {2004}} @article{ric04:6072, Author = {F. Richter and P. Rosmus and F. Gatti and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:28 -0600}, Journal = jcp, Pages = {6072-6084}, Title = {Time--dependent wavepacket study on trans--cis isomerisation of {HONO}}, Volume = {120}, Year = {2004}} @article{ris96:1409, Author = {U. V. Riss and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:28 -0600}, Journal = jcp, Pages = {1409}, Title = {Investigation on the reflection and transmission properties of complex absorbing potentials.}, Volume = {105}, Year = {1996}} @article{ris93:4503, Author = {U. V. Riss and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:28 -0600}, Journal = jpb, Pages = {4503}, Title = {Calculation of resonance energies and widths using the complex absorbing potential method.}, Volume = {26}, Year = {1993}} @article{Rist:2002, Abstract = {A novel exptl. approach to study excitonic coupling, excitation energy transfer, and excimer formation in DNA with optical spectroscopic methods is described. Excitonic coupling between adjacent bases was found to result to delocalized excitation between identical bases, even at room temp. As a result, a new, weakly allowed emission band which is red-shifted with respect to the typical 2-aminopurine (Ap) fluorescence was obsd. Excitonic interaction between nonidentical bases leads to exciplex emission; however, this interaction is substantially weaker. [on SciFinder (R)]}, Author = {Rist, Manuela and Wagenknecht, Hans-Achim and Fiebig, Torsten.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:28 -0600}, Journal = {ChemPhysChem}, Keywords = {DNA exciton excimer coupling aminopurine}, Owner = {bittner}, Pages = {704-707}, Timestamp = {2006.01.02}, Title = {Exciton and excimer formation in DNA at room temperature.}, Volume = {3}, Year = {2002}} @article{Ritze_2007, Author = {Hans-Hermann Ritze and Pavel Hobza and Dana Nachtigalova}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:29 -0600}, Journal = {Phys. Chem. Chem. Phys.}, Pages = {1672-1675}, Timestamp = {2007.10.20}, Title = {Electronic Coupling in the Excited Electronic State of Stacked DNA Base Homodimers}, Volume = {9}, Year = {2007}} @article{Roberta:, Abstract = {Photosystem I of higher plants is characterized by red-shifted spectral forms deriving from chlorophyll chromophores. Each of the four Lhca1 to -4 subunits exhibits a specific fluorescence emission spectrum, peaking at 688, 701, 725, and 733 nm, respectively. Recent analysis revealed the role of chlorophyll-chlorophyll interactions of the red forms in Lhca3 and Lhca4, whereas the basis for the fluorescence emission at 701 nm in Lhca2 is not yet clear. We report a detailed characterization of the Lhca2 subunit using molecular biology, biochemistry, and spectroscopy and show that the 701-nm emission form originates from a broad absorption band at 690 nm. Spectroscopy on recombinant mutant proteins assesses that this band represents the low energy form of an excitonic interaction involving two chlorophyll a molecules bound to sites A5 and B5, the same protein domains previously identified for Lhca3 and Lhca4. The resulting emission is, however, substantially shifted to higher energies. These results are discussed on the basis of the structural information that recently became available from x-ray crystallography (Ben Shem, A., Frolow, F., and Nelson, N. (2003) Nature 426, 630-635). We suggest that, within the Lhca subfamily, spectroscopic properties of chromophores are modulated by the strength of the excitonic coupling between the chromophores A5 and B5, thus yielding fluorescence emission spanning a large wavelength interval. It is concluded that the interchromophore distance rather than the transition energy of the individual chromophores or the orientation of transition vectors represents the critical factor in determining the excitonic coupling in Lhca pigment-protein complexes. [on SciFinder (R)]}, Author = {Roberta, Croce and Tomas, Morosinotto and A, Ihalainen Janne and Agnieszka, Chojnicka and Jacques, Breton and P, Dekker Jan and Rienk, van Grondelle and Roberto, Bassi}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:29 -0600}, Journal = {Journal of biological chemistry}, Owner = {bittner}, Pages = {48543-9.}, Timestamp = {2006.01.02}, Title = {Origin of the 701-nm fluorescence emission of the Lhca2 subunit of higher plant photosystem I}, Volume = {279}} @article{Roche:2003, Author = {S. Roche}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. Lett.}, Keywords = {DNA; charge transfer states; sequences; genetics; macromolecules; molecular electronic states}, Pages = {108101}, Title = {Sequence Dependent DNA-Mediated Conduction}, Url = {http://link.aps.org/abstract/PRL/v91/e108101}, Volume = {91}, Year = {2003}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v91/e108101}} @article{Ruseckas:2001, Author = {Arvydas Ruseckas and Ebinazar B. Namdas and Tapan Ganguly and Mathias Theander and Mattias Svensson and Mats R. Andersson and Olle Ingan{\"a}s and Villy Sundstr{\"o}m}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Phys. Chem. 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Ab initio calculations of reaction pathways and potential-energy profiles identify the mechanism of the enhanced excited-state decay of the dimer: Conical intersections connect the locally excited 1pipi* state and the electronic ground state with a 1pipi* charge-transfer state that is strongly stabilized by the transfer of a proton. [on SciFinder (R)]}, Author = {Thomas Schultz and Elena Samoylova and Wolfgang Radloff and V. Hertel Ingolf and Andrezej L. 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These rapid risetimes indicate a nonradiative depletion of the first excited singlet state of DNA caused by exciton-phonon interactions. [on SciFinder (R)]}, Author = {Shapiro, S. L. and Campillo, A. J. and Kollman, V. H. and Goad, W. B.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:33 -0600}, Journal = {Optics Communications}, Keywords = {DNA acridine orange energy transfer}, Owner = {bittner}, Pages = {308-10}, Timestamp = {2006.01.02}, Title = {Exciton transfer in DNA.}, Volume = {15}, Year = {1975}} @article{Sheu:2002, Author = {S. Y. Sheu and D.-Y. Yang and H. L. Selzle and E. W. Schlag}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Eur. Phys. J. 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Shockley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:34 -0600}, Publisher = {van Norstrand}, Title = {Electrons and Holes in Semiconductors}, Year = {1950}} @article{shrotriya:064104, Author = {Vishal Shrotriya and Elbert Hsing-En Wu and Gang Li and Yan Yao and Yang Yang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:34 -0600}, Eid = {064104}, Journal = {Applied Physics Letters}, Keywords = {solar cells; photovoltaic cells; lithium compounds; aluminium; gold; transparency; short-circuit currents; electrodes}, Number = {6}, Numpages = {3}, Pages = {064104}, Publisher = {AIP}, Title = {Efficient light harvesting in multiple-device stacked structure for polymer solar cells}, Url = {http://link.aip.org/link/?APL/88/064104/1}, Volume = {88}, Year = {2006}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/88/064104/1}} @article{Shtanov96, Author = {Y. V. Shtanov}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:34 -0600}, Journal = {Phys. Rev. D}, Keywords = {Bohmian}, Month = {August}, Pages = {2564}, Title = {Pilot wave quantum cosmology}, Volume = {54}, Year = {1996}} @article{Singh:2004, Author = {M. R. Singh and C.-M. Tsang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Vac. Sci. Technol. A}, Number = {3}, Pages = {752}, Title = {Numerical simulations of variable range hopping conductivity in deoxyguanosine deoxyribose nucleic acid nucleoside films}, Volume = {22}, Year = {2004}, Bdsk-File-1 = {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}} @article{Sinha:2002, Author = {Rajeshwar P. Sinha and Donat-P. H{\"a}dler}, Booktitle = {UV-induced DNA damage and repair: a review}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Photochem. Photobiol. Sci.}, Pages = {225-236}, Title = {{UV}-induced {DNA} damage and repair: a review}, Url = {doi:10.1039/b201230h}, Volume = {1}, Year = {2002}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {doi:10.1039/b201230h}} @article{Sjoqvist97, Author = {E. Sj{\"o}qvist and H. Carlsen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:35 -0600}, Journal = {Phys. Rev. A}, Keywords = {Bohmian}, Month = {August}, Pages = {1638}, Title = {Geometric phase, quantum measurements, and the de Broglie-Bohm model}, Volume = {56}, Year = {1997}} @article{slater:807, Author = {J. C. Slater}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:35 -0600}, Journal = {Phys. Rev.}, Pages = {807}, Title = {A Soluble Problem in Energy Bands}, Url = {http://link.aps.org/abstract/PR/v87/p807}, Volume = {87}, Year = {1952}, Bdsk-Url-1 = {http://link.aps.org/abstract/PR/v87/p807}} @article{slyke:2160, Author = {S. A. Van Slyke and C. H. Chen and C. W. Tang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {Applied Physics Letters}, Keywords = {ELECTROLUMINESCENCE; ORGANIC COMPOUNDS; THIN FILMS; STABILITY; OPTOELECTRONIC DEVICES; LUMINOSITY; AGING}, Number = {15}, Pages = {2160-2162}, Publisher = {AIP}, Title = {Organic electroluminescent devices with improved stability}, Url = {http://link.aip.org/link/?APL/69/2160/1}, Volume = {69}, Year = {1996}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/69/2160/1}} @article{Small:1971, Author = {G. J. Small}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Pages = {3300}, Title = {Herzberg-Teller vibronic coupling and the Duschinsky effect}, Volume = {54}, Year = {1971}, Bdsk-File-1 = {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}} @article{Sobolewski:2002, Abstract = {Min.-energy reaction paths and corresponding potential-energy profiles have been computed for the lowest excited states of the amino form of 9H-adenine. Complete-active- space self-consistent-field (CASSCF) and d. functional theory (DFT) methods have been employed. The potential-energy function of the lowest 1ps* state, nominally a 3s Rydberg state, is found to be dissociative with respect to the stretching of the NH bond length of the azine group. The 1ps* potential-energy function intersects not only those of the 1pp* and 1Np* excited states, but also that of the electronic ground state. The 1pp*-1ps* and 1ps*-S0 intersections are converted into conical intersections when the out-of-plane motion of the active hydrogen atom is taken into account. It is argued that the predissocn. of the 1pp* and 1Np* states by the 1ps* state and the conical intersection of the 1ps* state with the S0 state provide the mechanism for the ultrafast radiationless deactivation of the excited singlet states of adenine. [on SciFinder (R)]}, Author = {Sobolewski, A. L. and Domcke, W.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {European Physical Journal D: Atomic, Molecular and Optical Physics}, Keywords = {mechanism nonradiative decay DNA base adenine}, Owner = {bittner}, Pages = {369-374}, Timestamp = {2006.06.06}, Title = {On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the excited states of 9H-adenine.}, Volume = {20}, Year = {2002}} @article{sokolik:4168, Author = {I. Sokolik and R. Priestley and A. D. Walser and R. Dorsinville and C. W. Tang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {Applied Physics Letters}, Keywords = {EXCITONS; ORGANOMETALLIC COMPOUNDS; THIN FILMS; RECOMBINATION; PHOTOLUMINESCENCE; ALUMINIUM COMPOUNDS; QUANTUM EFFICIENCY}, Number = {27}, Pages = {4168-4170}, Publisher = {AIP}, Title = {Bimolecular reactions of singlet excitons in tris(8-hydroxyquinoline) aluminum}, Url = {http://link.aip.org/link/?APL/69/4168/1}, Volume = {69}, Year = {1996}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/69/4168/1}} @article{Spano:2005, Author = {F. C. Spano}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {J. Chem. Phys.}, Keywords = {polymer films; visible spectra; ultraviolet spectra; infrared spectra; photoluminescence; phonon-exciton interactions; spectral line intensity; spectral line breadth; Gaussian distribution; aggregation}, Number = {23}, Pages = {234701}, Title = {Modeling disorder in polymer aggregates: The optical spectroscopy of regioregular poly(3-hexylthiophene) thin films}, Url = {http://link.aip.org/link/?JCP/122/234701/1}, Volume = {122}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/122/234701/1}} @article{spano:981, Author = {Frank C. Spano}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {conducting polymers; photochemistry; excitons; Davydov splitting; radiative lifetimes; vibronic states; aggregation; absorption coefficients; spectral line shift}, Number = {2}, Pages = {981-994}, Publisher = {AIP}, Title = {The fundamental photophysics of conjugated oligomer herringbone aggregates}, Url = {http://link.aip.org/link/?JCP/118/981/1}, Volume = {118}, Year = {2003}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/981/1}} @article{spano:5376, Author = {Frank C. Spano}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {polymers; point defects; excitons; nanostructured materials; defect absorption spectra; photoluminescence; spectral line shift}, Number = {12}, Pages = {5376-5390}, Publisher = {AIP}, Title = {Absorption and emission in pinwheel aggregates of oligo-phenylene vinylene molecules}, Url = {http://link.aip.org/link/?JCP/114/5376/1}, Volume = {114}, Year = {2001}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/5376/1}} @article{Sprecher:1977, Author = {Cindy A. Sprecher and W. Curtis Johnson, JR.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:36 -0600}, Journal = {Biopolymers}, Pages = {2243--2264}, Title = {Circular Dichroism of the Nucleic Acid Monomers}, Volume = {16}, Year = {1977}} @article{Starikov:2005, Abstract = {We have thoroughly analyzed the electronic structure of stacked DNA Watson-Crick (WC) base pair dimers using ab initio Hartree-Fock and semiempirical Hartree-Fock-configuration-interaction quantum chem. We consider all the possible base compns. and sequences at the nucleoside level in vacuo. The results show that in such systems charge carrier generation could in principle be possible via charge transfer excitons, which turn out to dominate the first excited electronic states of the WC base pairs and their stacked dimers, and this process is largely sequence- and conformation-dependent. Possible consequences of this result for polymeric DNA duplexes are discussed. [on SciFinder (R)]}, Author = {Starikov, E. B. and Lewis, J. P. and Sankey, O. F.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Journal = {International Journal of Modern Physics B: Condensed Matter Physics, Statistical Physics, Applied Physics}, Owner = {bittner}, Pages = {4331-4357}, Timestamp = {2006.01.02}, Title = {BASE SEQUENCE EFFECTS ON CHARGE CARRIER GENERATION IN DNA:: A THEORETICAL STUDY.}, Volume = {19}, Year = {2005}} @article{Steinberg95, Author = {A. M. Steinberg}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Uncatagorized}, Month = {March}, Number = {13}, Pages = {2405}, Title = {How Much Time Does a Tunneling Particle Spend in the Barrier Region?}, Volume = {74}, Year = {1995}} @book{Steinfeld89, Author = {J. I. Steinfeld and J. S. Francisco and W. L. Hase}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Keywords = {ChemPhys}, Publisher = {Prenice-Hall}, Title = {Chemical Kinetics and Dynamics}, Year = {1989}} @article{Stockburger99, Author = {J. T. Stockburger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {4983}, Volume = {110}, Year = {1999}} @article{Strunz99, Author = {W. T. Strunz and L. Di{\'o}si and N. Gisin}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Cosmology}, Month = {March}, Pages = {1801}, Title = {Open System Dynamics with Non-Markovian Quantum Trajectories}, Volume = {82}, Year = {1999}} @article{Strunz1999aw, Author = {W. T. Strunz and L. Di{\'o}si and N. Gisin and T. Yu}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:37 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Cosmology - Stochastic}, Month = {December}, Number = {24}, Pages = {1801}, Title = {Quantum Trajectories for Brownian Motion}, Volume = {83}, Year = {1999}} @article{Suhai:1984, Abstract = {The Slater-Koster resolvent formalism of exciton theory, as proposed originally by Y. Takeuti (1957), was applied to calc. charge transfer exciton states and to investigate hypochromism in polynucleotides. As a 1st step, spatially well-localized ab initio Wannier functions (WFS) are calcd. at the Hartree-Fock level using a 2-phase (inter- and intramol.) localization procedure for the Fourier transformation of the Bloch functions. The single particle energies entering the Green's function of the polymer are cor. for electron correlation effects with the help of 2nd order Mueller-Plesset (MP) perturbation theory. The interelectronic matrix elements, used in the MP calcn. as well as in solving the resolvent problem for the excitons, are calcd. in terms of the WFS. Singlet- and triplet-excitonic dispersions, oscillator strengths, and the possible effects of ions, hydration, and aperiodicity on the exciton spectrum are discussed. [on SciFinder (R)]}, Author = {Suhai, S.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Journal = {International Journal of Quantum Chemistry, Quantum Biology Symposium}, Keywords = {DNA UV spectrum charge transfer exciton}, Owner = {bittner}, Pages = {223-35}, Timestamp = {2006.01.02}, Title = {First principles charge transfer exciton theory of the UV spectrum of DNA.}, Volume = {11}, Year = {1984}} @article{Suhai:1977, Abstract = {Theor. results are given for the electron-transport properties of polynucleotides, proteins, and TCNQ mol. crystals. The role of symmetry in the creation of an attractive interaction between the pairs of delocalized electrons is discussed along with the effects of optical phonons and excitonic polarons. Results for b-polyglycine, DNA, and N-methylphenazinium TCNQ are discussed. [on SciFinder (R)]}, Author = {Suhai, S. and Biczo, G.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Journal = {Lecture Notes in Physics}, Keywords = {DNA electron transport; polyglycine electron transport; methylphenazinium TCNQ electron transport; electron transport biopolymer; cond elec mol crystal}, Owner = {bittner}, Pages = {637-46}, Timestamp = {2006.01.02}, Title = {On the possible mechanisms of conductivity in biopolymers and charge transfer molecular crystals.}, Volume = {65}, Year = {1977}} @article{suk02:10641, Author = {S. Sukiasyan and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Journal = jcp, Pages = {10641--10647}, Title = {Reaction cross section for the {H}+{D}$_2 (\nu_0=1) \to$ {HD}+{D} and {D}+{H}$_2 (\nu_0=1) \to$ {DH}+{H} systems. {A} multi-configuration time-dependent {H}artree ({MCTDH}) wave-packet propagation study.}, Volume = {116}, Year = {2002}} @article{suk01:2604, Author = {S. Sukiasyan and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Journal = jpca, Pages = {2604--2611}, Title = {On the effect of initial rotation on reactivity. {A} multi-configuration time-dependent {H}artree ({MCTDH}) wave-packet propagation study on the {H}+{D}$_2$ and {D}+{H}$_2$ reactive scattering systems.}, Volume = {105}, Year = {2001}} @conference{sun:76, Author = {Baoquan Sun and Sebastian Westenhoff and Anoop S. Dhoot and Carlos Silva and Neil C. Greenham}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Editor = {Gregory V. Hartland and Xiao-Yang Zhu}, Journal = {Physical Chemistry of Interfaces and Nanomaterials III}, Location = {Denver, CO, USA}, Number = {1}, Pages = {76-85}, Publisher = {SPIE}, Title = {Charge transfer and recombination at conjugated polymer-semiconductor nanoparticle interfaces}, Url = {http://link.aip.org/link/?PSI/5513/76/1}, Volume = {5513}, Year = {2004}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5513/76/1}} @article{Sune00, Author = {J. Su{\~n}{\'e} and X. Oriols}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:38 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Bohmian}, Pages = {894}, Title = {Comment on ``Quantum Wavepacket Dynamics with Trajectories''}, Volume = {85}, Year = {2000}} @article{Sutherland:1976, Author = {Betsy M. Sutherland and Rowena Oliver and Charles O. Fuselier and J. C. Sutherland}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Biochem.}, Number = {2}, Pages = {402}, Title = {Photoreactivation of Pyrimidine Dimers in {DNA} of normal and xerodermic pigmentosum cells}, Volume = {15}, Year = {1976}, Bdsk-File-1 = {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}} @article{suzuki:4671, Author = {H. Suzuki and T. Shimada and H. Hiratsuka}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Journal = {Journal of Applied Physics}, Keywords = {OPTICAL MATERIALS; ORGANIC COMPOUNDS; HOLE BURNING; ELECTRON TRANSFER; DONORS; ACCEPTORS; ULTRALOW TEMPERATURE; LASER RADIATION; OPTICAL STORAGE}, Number = {9}, Pages = {4671-4678}, Publisher = {AIP}, Title = {Photon-gated persistent spectral hole burning by donor-acceptor electron transfer in tetraphenylporphine/halogenated anthracene systems}, Url = {http://link.aip.org/link/?JAP/70/4671/1}, Volume = {70}, Year = {1991}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/70/4671/1}} @article{Suzuki85, Author = {M. Suzuki}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Journal = {J. Math. Phys.}, Keywords = {Mathematics}, Month = {April}, Pages = {601}, Title = {Decomposition formulas of exponential operators and Lie exponentials with some applications to quantum mechanics and statistical physics}, Volume = {26}, Year = {1985}} @article{Vverlet, Author = {W. C. Swope and H. C. Andersen and P. H. Berens and K. R. Wilson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Journal = {Journal of Chemical Physics}, Pages = {637-649}, Title = {A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: application to small water clusters}, Volume = {76}, Year = {1982}} @article{tal-ezer:3967, Author = {H. Tal-Ezer and R. Kosloff}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {The Journal of Chemical Physics}, Keywords = {SCHROEDINGER EQUATION; TIME DEPENDENCE; QUANTUM MECHANICS; WAVE PACKETS; NUMERICAL SOLUTION; MOLECULAR DYNAMICS CALCULATION}, Number = {9}, Pages = {3967-3971}, Publisher = {AIP}, Title = {An accurate and efficient scheme for propagating the time dependent {S}chr{\"o}dinger equation}, Url = {http://link.aip.org/link/?JCP/81/3967/1}, Volume = {81}, Year = {1984}, Bdsk-File-1 = {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}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/81/3967/1}} @article{Tamura:2006, Author = {H. Tamura and Eric R. Bittner and I. Burghardt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Journal = {J. Chem. Phys.}, Keywords = {conical intersections}, Title = {Quantum nonadiabatic dynamics of exciton dissociation and recombination at in polymer heterojunctions}, Url = {http://arxiv.org/cond-mat/abs/0610790}, Year = {2006}, Bdsk-Url-1 = {http://arxiv.org/cond-mat/abs/0610790}} @article{tandon:045109, Author = {Kunj Tandon and S. Ramasesha and S. Mazumdar}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Eid = {045109}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {electron correlations; electron-hole recombination; organic light emitting diodes; organic semiconductors; conducting polymers; excitons; charge transfer states; wave functions}, Number = {4}, Numpages = {19}, Pages = {045109}, Publisher = {APS}, Title = {Electron correlation effects in electron-hole recombination in organic light-emitting diodes}, Url = {http://link.aps.org/abstract/PRB/v67/e045109}, Volume = {67}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v67/e045109}} @article{tang:913, Author = {C. W. Tang and S. A. VanSlyke}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:39 -0600}, Journal = {Applied Physics Letters}, Keywords = {ELECTROLUMINESCENCE; ORGANIC COMPOUNDS; ORGANIC SEMICONDUCTORS; THIN FILMS; VAPOR DEPOSITED COATINGS; QUANTUM EFFICIENCY; EFFICIENCY; ANODES; RECOMBINATION; DIODES; ELECTRON\&\#150;HOLE DROPS; FABRICATION; ITO LAYERS; CATHODES; SILVER; MAGNESIUM}, Number = {12}, Pages = {913-915}, Publisher = {AIP}, Title = {Organic electroluminescent diodes}, Url = {http://link.aip.org/link/?APL/51/913/1}, Volume = {51}, Year = {1987}, Bdsk-Url-1 = {http://link.aip.org/link/?APL/51/913/1}} @article{tang:3610, Author = {C. W. Tang and S. A. VanSlyke and C. H. Chen}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {Journal of Applied Physics}, Keywords = {aluminium complexes; quinolines; hydroxy compounds; thin films; electroluminescence; crystal doping; quantum efficiency; coumarins}, Number = {9}, Pages = {3610-3616}, Publisher = {AIP}, Title = {Electroluminescence of doped organic thin films}, Url = {http://link.aip.org/link/?JAP/65/3610/1}, Volume = {65}, Year = {1989}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/65/3610/1}} @article{Thompson99, Author = {K. Thompson and N. Makri}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {1343}, Volume = {110}, Year = {1999}} @article{tho04:217, Author = {M. Thoss and W. Domcke and H. Wang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = cp, Pages = {217--229}, Title = {Theoretical study of vibrational wave-packet dynamics in electron-transfer systems.}, Volume = {296}, Year = {2004}} @article{tho01:2991, Author = {Michael Thoss and Haobin Wang and W. H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = jcp, Pages = {2991}, Title = {Self-consistent hybrid approach for complex systems: {A}pplication to the spin-boson model with Debye spectral density.}, Volume = {115}, Year = {2001}} @article{Thouless:1974, Author = {D. Thouless}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {Physics Reports}, Number = {3}, Pages = {93}, Title = {Electrons in disordered systems and the theory of localization}, Volume = {13}, Year = {1974}} @article{todd:8915, Author = {David C. Todd and Graham R. Fleming and John M. Jean}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {ABSORPTION SPECTRA; EMISSION SPECTRA; STILBENE; HARMONIC OSCILLATORS; TEMPERATURE RANGE 0273\&\#150;0400 K; RESONANCE SCATTERING; RAMAN EFFECT; ISOMERIZATION; EXCITED STATES; SOLVENTS; SOLUTES; COUPLING; CHEMICAL REACTIONS}, Number = {12}, Pages = {8915-8925}, Publisher = {AIP}, Title = {Calculations of absorption and emission spectra: A study of cis-stilbene}, Url = {http://link.aip.org/link/?JCP/97/8915/1}, Volume = {97}, Year = {1992}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/97/8915/1}} @article{todd:8658, Author = {David C. Todd and John M. Jean and Sandra J. Rosenthal and Anthony J. Ruggiero and Ding Yang and Graham R. Fleming}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {The Journal of Chemical Physics}, Keywords = {STILBENE; ISOMERIZATION; FLUORESCENCE; LIFETIME; ORGANIC SOLVENTS}, Number = {12}, Pages = {8658-8668}, Publisher = {AIP}, Title = {Fluorescence upconversion study of cis-stilbene isomerization}, Url = {http://link.aip.org/link/?JCP/93/8658/1}, Volume = {93}, Year = {1990}, Bdsk-Url-1 = {http://link.aip.org/link/?JCP/93/8658/1}} @article{Tolpygo:1993, Abstract = {The protonic exciton behavior in DNA fragmentation consisting of G-C pairs with single \"defects\" has been studied when analyzing the processes accompanying formation of potential mutations in DNA mols. under UV irradn. Either the AT pair or a deuterated H-bond may act as a \"defect\". It is shown that such a \"defect\" will scatter the excitation waves of the hydrogen bonds. The kinetics of this scattering of protonic exciton moving initially in one direction as well as the time needed for its reflection have been studied. Localization of this excitation on a \"defect\" as well as the degree of such localization are shown possible. These results may serve the basis for explaining the known \"neighboring effect\", i.e. the dependence of the mutation formation probability of a given pair of nucleotide bases on nucleotide compn. of the neighboring pairs. [on SciFinder (R)]}, Author = {Tolpygo, K. B. and Grebneva, E. A.}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:40 -0600}, Journal = {Ukrainskii Fizicheskii Zhurnal (Russian Edition)}, Keywords = {exciton defect DNA fragment neighboring effect}, Owner = {bittner}, Pages = {976-81}, Timestamp = {2006.01.02}, Title = {Scattering and localization of the protonic exciton \"defect\" at a DNA fragment consisting of guanine-cytosine pairs.}, Volume = {38}, Year = {1993}} @article{Topaler94, Author = {M. Topaler and N. Makri}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Uncatagorized}, Pages = {7500}, Volume = {101}, Year = {1994}} @article{Trahan03, Author = {C. Trahan and R. E. Wyatt}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bayesian - Physics}, Pages = {in press}, Title = {An arbitrary Lagrangian-Eulerian approach to solving the quantum hydrodynamic equations of motion: Implementation with smart springs}, Year = {2003}} @article{Treadway:2002, Author = {C. R. Treadway and M. G. Hill and J. K. Barton}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = {Chemical Physics}, Keywords = {DNA}, Pages = {409}, Title = {Charge transport through a molecular $pi$-stack: double helical DNA}, Volume = {281}, Year = {2002}} @article{tretiak:097402, Author = {S. Tretiak and A. Saxena and R. L. Martin and A. R. Bishop}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Eid = {097402}, Journal = {Physical Review Letters}, Keywords = {conducting polymers; photoexcitation; simulation; molecular dynamics method; potential energy surfaces; excited states; spectroscopy; optical properties}, Number = {9}, Numpages = {4}, Pages = {097402}, Publisher = {APS}, Title = {Conformational Dynamics of Photoexcited Conjugated Molecules}, Url = {http://link.aps.org/abstract/PRL/v89/e097402}, Volume = {89}, Year = {2002}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v89/e097402}} @article{tri03:600, Author = {J. Trin and M. Monerville and B. Pouilly and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = jcp, Pages = {600--609}, Title = {Photodissociation of the {ArHBr} complex investigated with the {M}ulti--{C}onfiguration {T}ime--{D}ependent {H}artree ({MCTDH}) approach.}, Volume = {118}, Year = {2003}} @article{truhlar:032501, Author = {Donald G. Truhlar and C. Alden Mead}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Eid = {032501}, Journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, Keywords = {potential energy surfaces; energy level crossing}, Number = {3}, Numpages = {2}, Pages = {032501}, Publisher = {APS}, Title = {Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules}, Url = {http://link.aps.org/abstract/PRA/v68/e032501}, Volume = {68}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRA/v68/e032501}} @article{truhlar:2593, Author = {Donald G. Truhlar and C. Alden Mead}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, Keywords = {ATOMS; MOLECULES; ELECTRONIC STRUCTURE; RESONANCE; METASTABLE STATES; QUANTUM MECHANICS}, Number = {5}, Pages = {2593-2602}, Publisher = {APS}, Title = {Stationarity principle for quantum-mechanical resonance states}, Url = {http://link.aps.org/abstract/PRA/v42/p2593}, Volume = {42}, Year = {1990}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRA/v42/p2593}} @article{Tsolakidis:2005, Author = {Argyrios Tsolakidis and Efthimios Kaxiras}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:41 -0600}, Journal = {Journal of Physical Chemistry A}, Pages = {2373--2380}, Title = {A TDDFT study of the Optical Response of DNA Bases, Base Pairs, and Their Tautomers in the Gas Phase}, Volume = {109}, Year = {2005}} @article{Turro:1978, Author = {N. J. Turro and I. E. Kochevar and Y. Noguchi and M.-F. Chow}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Journal of the American Chemical Society}, Month = {May}, Number = {10}, Pages = {3170}, Rating = {4}, Title = {Electronic excitation transfer in polymers. 3. Singlet-Singlet, Triplet-Singlet, and Triplet-Triplet energy transfer. Evidence for triplet migration among pendant phenyl groups in polystyrene}, Volume = {100}, Year = {1978}, Bdsk-File-1 = {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}} @article{Unruh89, Author = {W. G. Unruh and W. H. Zurek}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {Phys. Rev. D}, Keywords = {Cosmology}, Pages = {1071}, Volume = {40}, Year = {1989}} @article{Vacchini01, Author = {B. Vacchini}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {Phys. Rev. E}, Keywords = {Uncatagorized}, Pages = {2001}, Volume = {63}, Year = {2001}} @article{Vacchini00, Author = {B. Vacchini}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {Uncatagorized}, Pages = {1374}, Volume = {84}, Year = {2000}} @article{vaeth:3447, Author = {Kathleen M. Vaeth and C. W. Tang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {Journal of Applied Physics}, Keywords = {light emitting diodes; filled polymers; polymer films; conducting polymers; spin coating; brightness; electroluminescence; phosphorescence; organic compounds}, Number = {7}, Pages = {3447-3453}, Publisher = {AIP}, Title = {Light-emitting diodes based on phosphorescent guest/polymeric host systems}, Url = {http://link.aip.org/link/?JAP/92/3447/1}, Volume = {92}, Year = {2002}, Bdsk-Url-1 = {http://link.aip.org/link/?JAP/92/3447/1}} @article{Valerie:, Abstract = {The photoinduced hydrogen-elimination reaction in pyrrole via the conical intersections of the two (1)pi sigma(*) excited states with the electronic ground states [(1)B(1)(pi sigma(*))-S(0) and (1)A(2)(pi sigma(*))-S(0)] have been investigated by time-dependent quantum wave-packet calculations. Model potential-energy surfaces of reduced dimensionality have been constructed on the basis of accurate multireference ab initio electronic-structure calculations. For the (1)B(1)-S(0) conical intersection, the model includes the NH stretching coordinate as the tuning mode and the hydrogen out-of-plane bending coordinate as the coupling mode. For the (1)A(2)-S(0) conical intersection, the NH stretching coordinate and the screwing coordinate of the ring hydrogens are taken into account. The latter is the dominant coupling mode of this conical intersection. The electronic population-transfer processes at the conical intersections, the branching ratio between the dissociation channels, and their dependence on the initial preparation of the system have been investigated for pyrrole and deuterated pyrrole. It is shown that the excitation of the NH stretching mode strongly enhances the reaction rate, while the excitation of the coupling mode influences the branching ratio of different dissociation channels. The results suggest that laser control of the photodissociation of pyrrole via mode-specific vibrational excitation should be possible. The calculations provide insight into the microscopic details of ultrafast internal-conversion processes in pyrrole via hydrogen-detachment processes, which are aborted at the (1)pi sigma(*)-S(0) conical intersections. These mechanisms are of relevance for the photostability of the building blocks of life (e.g., the DNA bases). [on SciFinder (R)]}, Author = {Valerie, Vallet and Zhenggang, Lan and Susanta, Mahapatra and L, Sobolewski Andrzej and Wolfgang, Domcke}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {The Journal of chemical physics}, Owner = {bittner}, Pages = {144307.}, Timestamp = {2006.06.06}, Title = {Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1pi sigma*-S0 conical intersections}, Volume = {123}} @conference{veenstra:593815, Author = {Sjoerd C. Veenstra and Wiljan Smaal and Lenneke Slooff and Jan M. Kroon and Marc M. Koetse and Jorgen Sweelssen and Kornel Hoekerd and Herman F. M. Schoo}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Editor = {Zakya H. Kafafi and Paul A. Lane}, Eid = {593815}, Journal = {Organic Photovoltaics VI}, Location = {San Diego, CA, USA}, Number = {1}, Numpages = {7}, Pages = {593815}, Publisher = {SPIE}, Title = {Solar cells based on a polymer blend with a maximum external quantum efficiency of 52% and a power conversion efficiency of 1.5%}, Url = {http://link.aip.org/link/?PSI/5938/593815/1}, Volume = {5938}, Year = {2005}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/5938/593815/1}} @article{ven05:104505, Author = {Oriol Vendrell and H.-D. Meyer}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = jcp, Pages = {104505}, Title = {Proton conduction along a chain of water molecules. {D}evelopment of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method}, Volume = {122}, Year = {2005}} @article{Venugopalan97, Author = {A. Venugopalan}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:42 -0600}, Journal = {Phys. Rev. A}, Keywords = {Cosmology}, Month = {November}, Pages = {4307}, Title = {Decoherence and Sch{\"o}dinger-cat states in a Stern-Gerlach-type experiment}, Volume = {56}, Year = {1997}} @article{verkhovskaya:330, Author = {K. A. Verkhovskaya and A. D. Grishina and N. I. Kuznetsova and L. Ya. Pereshivko and T. V. Krivenko and V. V. 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Campbell}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:43 -0600}, Journal = {Physical Review Letters}, Keywords = {POLYACETYLENES; ELECTRONIC STRUCTURE; POTENTIALS; THREE \&\#150; DIMENSIONAL CALCULATIONS; SYMMETRY BREAKING; GROUND STATES; GREEN FUNCTION; TRAPPING; POLARONS; DENSITY FUNCTIONAL METHOD}, Number = {17}, Pages = {2012-2015}, Publisher = {APS}, Title = {Three-dimensional structure and intrinsic defects in trans-polyacetylene}, Url = {http://link.aps.org/abstract/PRL/v62/p2012}, Volume = {62}, Year = {1989}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRL/v62/p2012}} @article{Voityuk:2005, Author = {Alexander A. Voityuk}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {J. Chem. Phys.}, Pages = {034903}, Title = {Estimates of electronic coupling for excess electron transfer in DNA}, Volume = {123}, Year = {2005}, Bdsk-File-1 = {YnBsaXN0MDDUAQIDBAUGCQpYJHZlcnNpb25UJHRvcFkkYXJjaGl2ZXJYJG9iamVjdHMSAAGGoNEHCFRyb290gAFfEA9OU0tleWVkQXJjaGl2ZXKoCwwXGBkdJCVVJG51bGzTDQ4PEBEUViRjbGFzc1dOUy5rZXlzWk5TLm9iamVjdHOAB6ISE4ACgAOiFRaABIAGWWFsaWFzRGF0YVxyZWxhdGl2ZVBhdGjSDRobHFdOUy5kYXRhgAVPEQGeAAAAAAGeAAIAAAxNYWNpbnRvc2ggSEQAAAAAAAAAAAAAAAAAAADDkqRLSCsAAAAN4J4PVm9pdHl1azIwMDUucGRmAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA48Fb8nt04AAAAAAAAAAAABAAIAAAkgAAAAAAAAAAAAAAAAAAAAClBERi1QYXBlcnMAEAAIAADDkvirAAAAEQAIAAC/J/2eAAAAAQAQAA3gngAKo9sACqPEAAB6jgACAEBNYWNpbnRvc2ggSEQ6VXNlcnM6ZWJpdHRuZXI6RG9jdW1lbnRzOlBERi1QYXBlcnM6Vm9pdHl1azIwMDUucGRmAA4AIAAPAFYAbwBpAHQAeQB1AGsAMgAwADAANQAuAHAAZABmAA8AGgAMAE0AYQBjAGkAbgB0AG8AcwBoACAASABEABIAM1VzZXJzL2ViaXR0bmVyL0RvY3VtZW50cy9QREYtUGFwZXJzL1ZvaXR5dWsyMDA1LnBkZgAAEwABLwAAFQACAA///wAA0h4fICFYJGNsYXNzZXNaJGNsYXNzbmFtZaMhIiNdTlNNdXRhYmxlRGF0YVZOU0RhdGFYTlNPYmplY3RfEB0uLi9QREYtUGFwZXJzL1ZvaXR5dWsyMDA1LnBkZtIeHyYnoicjXE5TRGljdGlvbmFyeQAIABEAGgAfACkAMgA3ADoAPwBBAFMAXABiAGkAcAB4AIMAhQCIAIoAjACPAJEAkwCdAKoArwC3ALkCWwJgAmkCdAJ4AoYCjQKWArYCuwK+AAAAAAAAAgEAAAAAAAAAKAAAAAAAAAAAAAAAAAAAAss=}} @article{Wan:2000, Author = {C. Wan and T. Fiebig and O. Schiemann and J. K. Barton and A. H. Zewail}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:43 -0600}, Journal = {Proc Natl Acad Sci U S A}, Keywords = {DNA}, Pages = {14052}, Title = {Femtosecond direct observation of charge transfger betweens bases in DNA}, Volume = {97}, Year = {2000}} @article{Wan02, Author = {C. Wan and J. Schofield}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = {J. Chem. Phys.}, Keywords = {ChemPhys}, Month = {January}, Pages = {494}, Title = {Solutions of the mixed quantum-classical dynamics in multiple dimensions using classical trajectories}, Volume = {116}, Year = {2002}} @article{Wan00, Author = {C. Wan and J. Schofield}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = {J. Chem. Phys.}, Keywords = {ChemPhys}, Month = {March}, Number = {10}, Pages = {4447}, Title = {Exact and asymptotic solutions of the mixed quantum-classical Liouville equation}, Volume = {112}, Year = {2000}} @article{Wand:2004, Author = {H. Wand and J. P. Lewis and O. F. Sankey}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = {Phys. Rev. Lett.}, Keywords = {DNA}, Pages = {016401}, Title = {Bandgap tunneling states in DNA}, Volume = {93}, Year = {2004}} @article{wan00:9948, Author = {H. Wang}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = jcp, Pages = {9948}, Title = {Basis set approach to the quantum dissipative dynamics: {A}pplication of the multiconfiguration time-dependent {H}artree method to the spin-boson problem.}, Volume = {113}, Year = {2000}} @article{wan03:1289, Author = {H. Wang and M. Thoss}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = jcp, Pages = {1289}, Title = {Multilayer formulation of the multiconfiguration time-dependent {H}artree theory.}, Volume = {119}, Year = {2003}} @article{wan03:2126, Author = {H. Wang and M. Thoss}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = jpca, Pages = {2126--2136}, Title = {Theoretical study of ultrafast photoinduced electron transfer processes in mixed-valence systems}, Volume = {107}, Year = {2003}} @article{wan01:2979, Author = {H. Wang and Michael Thoss and W.H. Miller}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = jcp, Pages = {2979}, Title = {Systematic convergence in the dynamical hybrid approach for complex systems: {A} numerical exact methodology.}, Volume = {115}, Year = {2001}} @article{Wang:2004, Author = {Hao Wang and J. P. Lewis and Otto F. Stanley}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Physical Review Letters}, Number = {1}, Pages = {016401}, Title = {Band-gap tunneling states in DNA}, Volume = {93}, Year = {2004}, Bdsk-File-1 = {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}} @article{Wang98, Author = {M. 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This is shown to be consistent with film behavior and accounts for low luminescence quantum yields in the solid state. It also explains the recent reports of rapidly formed species with characteristic infrared active vibrations. Our data support a picture where polaron pairs mostly recombine to form the ground state directly, in stark contrast to their presumed recombination mechanism in electroluminescent devices where they have been postulated to form only excited singlet and triplet states. }, Author = {P. Wang and C. J. Collison and L. J. Rothberg}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:44 -0600}, Journal = {Journal of Photochemistry and Photobiology A: Chemistry}, Keywords = {Phenylenevinylene; Photoexcitation; Photoluminescence (PL); Excited state dynamics}, Pages = {36}, Title = {Origins of aggregation quenching in luminescent phenylenevinylene polymers}, Url = {http://dx.doi.org/10.1016/S1010-6030(01)00518-4}, Volume = {144}, Year = {2001}, Bdsk-Url-1 = {http://dx.doi.org/10.1016/S1010-6030(01)00518-4}} @article{Wang01, Author = {Z. S. Wang and G. R. Darling and S. Holloway}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:45 -0600}, Journal = {J. Chem. Phys.}, Keywords = {Bohmian}, Month = {December}, Number = {22}, Pages = {10373}, Title = {Dissociation dynamics from the de Broglie-Bohm perspective}, Volume = {115}, Year = {2001}} @article{WATSON:1953, Author = {J. D. WATSON and F. H. C. 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Moses}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:45 -0600}, Journal = {Physical Review B (Condensed Matter)}, Keywords = {PHOTOCONDUCTIVITY; PHENYLENE RADICALS; POLYVINYLS; POLYMERS; PHOTOVOLTAIC EFFECT; LIGHT EMITTING DIODES; INDIUM OXIDES; TIN OXIDES; CALCIUM; ALUMINIUM; COPPER; ELECTROLUMINESCENCE; ORGANIC SEMICONDUCTORS; OPTICAL PROPERTIES}, Number = {24}, Pages = {17480-17483}, Publisher = {APS}, Title = {Photoresponse of poly(para-phenylenevinylene) light-emitting diodes}, Url = {http://link.aps.org/abstract/PRB/v49/p17480}, Volume = {49}, Year = {1994}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v49/p17480}} @article{Wiggens:2005, Author = {P. A. Wiggens and R. Phillips and Phillip C. Nelson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2008-04-07 09:30:11 -0500}, Journal = {Phys. Rev. E}, Pages = {021909}, Title = {Exact theory of kinkable elastic polymers}, Volume = {71}, Year = {2005}, Bdsk-File-1 = {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}} @article{Wigner32, Author = {E. 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Friend}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:45 -0600}, Journal = {Nature}, Keywords = {light emitting diodes; organic semiconductors; conducting polymers; platinum; excitons; spin-orbit interactions; photoluminescence; electroluminescence}, Number = {6858}, Pages = {828-831}, Publisher = {OTHER}, Title = {Spin-dependent exciton formation in pi-conjugated compounds}, Url = {http://www.nature.com/doifinder/10.1038/35101565}, Volume = {413}, Year = {2001}, Bdsk-Url-1 = {http://www.nature.com/doifinder/10.1038/35101565}} @article{wilson:125206, Author = {J. S. Wilson and R. J. Wilson and R. H. Friend and A. Kohler and M. K. Al-Suti and M. R. A. Al-Mandhary and M. S. Khan}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:46 -0600}, Eid = {125206}, Journal = {Physical Review B (Condensed Matter and Materials Physics)}, Keywords = {platinum compounds; conducting polymers; optical polymers; light polarisation; photoluminescence; visible spectra; ultraviolet spectra; triplet state; excited states; spin-orbit interactions; polymer films}, Number = {12}, Numpages = {6}, Pages = {125206}, Publisher = {APS}, Title = {Polarization of singlet and triplet excited states in a platinum-containing conjugated polymer}, Url = {http://link.aps.org/abstract/PRB/v67/e125206}, Volume = {67}, Year = {2003}, Bdsk-Url-1 = {http://link.aps.org/abstract/PRB/v67/e125206}} @article{Wilson:1974, Author = {K. G. Wilson}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:46 -0600}, Journal = {Phys. Rev. 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Gaylord and Shu Wang and Guillermo C. Bazan and Daniel Moses and Alan J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:49 -0600}, Journal = {Proceedings of the National Academy of Sciences of the United States of America}, Keywords = {DNA; molecular configurations; sequences; proteins; polymers; electrostatics}, Number = {32}, Pages = {11634-11639}, Publisher = {NAS}, Title = {Time-resolved energy transfer in DNA sequence detection using water-soluble conjugated polymers: The role of electrostatic and hydrophobic interactions}, Url = {http://www.pnas.org/cgi/content/full/101/32/11634}, Volume = {101}, Year = {2004}, Bdsk-Url-1 = {http://www.pnas.org/cgi/content/full/101/32/11634}} @article{Yamada:1968, Author = {Takenori Yamada and Hideo Fukutome}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:49 -0600}, Journal = {Biopolymers}, Pages = {43--54}, Title = {Vacuum Ultraviolet Absorption Spectra of Sublimed Films of Nucleic Acid Bases}, Volume = {6}, Year = {1968}} @article{yan:62, Author = {Hao Yan and Xiaoping Zhang and Zhiyong Shen and Nadrian C. 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R. Yarkony}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:50 -0600}, Journal = {Accounts of Chemical Research}, Keywords = {conical intersections}, Pages = {511}, Volume = {31}, Year = {1998}} @article{Yarkony:1996, Author = {D. R. Yarkony}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:50 -0600}, Journal = {Rev. Mod. Phys}, Pages = {985}, Title = {Diabolical Conical Intersections}, Volume = {68}, Year = {96}} @conference{yu:118, Author = {Gang Yu and Gordana Srdanov and Hailiang Wang and Yong Cao and Alan J. Heeger}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:50 -0600}, Editor = {Donal D. C. Bradley and Bernard Kippelen}, Journal = {Organic Photonic Materials and Devices II}, Location = {San Jose, CA, USA}, Number = {1}, Pages = {118-125}, Publisher = {SPIE}, Title = {Photovoltaic cells and photodetectors made with semiconductor polymers: recent progress}, Url = {http://link.aip.org/link/?PSI/3939/118/1}, Volume = {3939}, Year = {2000}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3939/118/1}} @article{yu:8847, Abstract = { We have studied the exciton states in two coupled conjugated polymer chains which are modelled individually by the Su - Schrieffer - Heeger Hamiltonian and coupled by an interchain electron-transfer term. Both the intra- and interchain long-range Coulomb interactions are taken into account. The properties of the lowest symmetric and anti-symmetric exciton states are extensively discussed for both the parallel and anti-parallel ordering between these two chains. It is found that, for these two kinds of ordering, the features of excitons are quite different. Possible implications for the experiment of luminescent polymers are also addressed. }, Author = {Z G Yu and M W Wu and X S Rao and X Sun and A R Bishop}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:50 -0600}, Journal = {Journal of Physics: Condensed Matter}, Number = {45}, Pages = {8847-8857}, Title = {Excitons in two coupled conjugated polymer chains}, Url = {http://stacks.iop.org/0953-8984/8/8847}, Volume = {8}, Year = {1996}, Bdsk-Url-1 = {http://stacks.iop.org/0953-8984/8/8847}} @article{Yu:2001, Author = {Yu, Z. G. and Song, Xueyu}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:51 -0600}, Doi = {10.1103/PhysRevLett.86.6018}, Journal = {Phys. Rev. Lett.}, Month = {Jun}, Number = {26}, Pacs = {7.14.Gg, 72.20.Ee, 72.80.Le}, Pages = {6018}, Title = {Variable Range Hopping and Electrical Conductivity along the g Double Helix}, Url = {http://prola.aps.org.ezproxy.lib.uh.edu/pdf/PRL/v86/i26/p6018_1}, Volume = {86}, Year = {2001}, Bdsk-Url-1 = {http://prola.aps.org.ezproxy.lib.uh.edu/pdf/PRL/v86/i26/p6018_1}, Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.86.6018}, Bdsk-Url-3 = {http://dx.doi.org/10.1103/PhysRevLett.86.6018}} @article{Zaloudek:1985, Author = {Frantisek Zaloudek and Joel S. Navros and Leigh B. Clark}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:51 -0600}, Journal = {J. Am. Chem. Soc.}, Pages = {7344--7351}, Title = {The electronic spectrum of cytosine }, Volume = {107}, Year = {1985}} @article{Zhang:2004, Author = {Wei Zhang and Sergio E. Ulloa}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:51 -0600}, Journal = {Phys. Rev. B}, Pages = {153203}, Title = {Extended states in disordered systems: Role of off-diagonal correlations}, Url = {http://link.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v69/e153203}, Volume = {69}, Year = {2004}, Bdsk-Url-1 = {http://link.aps.org.ezproxy.lib.uh.edu/abstract/PRB/v69/e153203}} @conference{zhang:89, Author = {Xuejun Zhang and Ashok S. Shetty and Samson A. Jenekhe}, Date-Added = {2007-12-31 09:20:14 -0600}, Date-Modified = {2007-12-31 09:21:51 -0600}, Editor = {Zakya H. Kafafi}, Journal = {Organic Light-Emitting Materials and Devices}, Location = {San Diego, CA, USA}, Number = {1}, Pages = {89-101}, Publisher = {SPIE}, Title = {Efficient light-emitting diodes from blends of conjugated polymers}, Url = {http://link.aip.org/link/?PSI/3148/89/1}, Volume = {3148}, Year = {1997}, Bdsk-Url-1 = {http://link.aip.org/link/?PSI/3148/89/1}} @article{zhao:114701, Author = {Zhen Zhao and Frank