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Electronic transfer

Marcus theory (Wikipedia)


D Matyushov, Reorganization energy of electron transfer, PCCP 25, 7589 (2023)

S Kundu, N Makri, Intramolecular Vibrations in Excitation Energy Transfer: Insights from Real-Time Path Integral Calculations, ARPC 73, 349 (2022) – doi

J Blumberger, Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions, CR 115, 11191 (2015)

D N Beratan, S S Skourtis, I A Balabin, A Balaeff, S Keinan, R Venkatramani, D Xiao, Steering Electrons on Moving Pathways, ACR 42, 1669 (2009)

Energy transfer dynamics in biomaterial systems, ed I Burghardt, V May, D A Micha, E R Bittner, Springer Series Chem Phys 93 (2009)

V May, O Kuhn, Charge and energy transfer dynamics in molecular systems (Wiley, 2004), 2ed – google, LANL, QD461.M39

D V Matyushov, G A Voth, New developments in the theoretical description of charge-transfer reactions in condensed phases, RCC 18, 147 (2002)

Electron Transfer - from Isolated Molecules to Biomolecules, ed J Jortner, M Bixon, ACP 106-107 (1999) – google

P F Barbara, T J Meyer, M A Ratner, Contemporary issues in electron transfer research, J Phys Chem 100, 13148 (1996)

M D Newton, Quantum chemical probes of electron-transfer kinetics: the nature of donor-acceptor interactions, CR 91, 767 (1991)

Аскеров Б М, Электронные явления переноса в полупроводниках (Наука, 1985)

R A Marcus, N Sutin, Electron transfers in chemistry and biology, Biochimica et Biophysica Acta 811, 265 (1985)

A A Ovchinnikov, M Y Ovchinnikova, Problems of nonlinear radiationless processes in chemistry, AQC 16, 161 (1982)

Агранович В М, Галанин М Д, Перенос энергии электронного возбуждения в конденсированных средах (Наука, 1978)

D Emin, Phonon-assisted transition rates I. Optical-phonon-assisted hopping in solids, AP 24, 305 (1975)

R A Marcus, Chemical and electrochemical electron-transfer theory, ARPC 15, 155 (1964)

A Miller, E Abrahams, Impurity conduction at low concentrations, PR 120, 745 (1960)


K Hyeon-Deuk, J Kim, O V Prezhdo, Ab Initio Analysis of Auger-Assisted Electron Transfer, JPCL 6, 244 (2015)

M Pavanello, T Van Voorhis, L Visscher, J Neugebauer, An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings, JCP 138, 054101 (2013)

M H Lee, B D Dunietz, E Geva, Calculation from First Principles of Intramolecular Golden-Rule Rate Constants for Photo-Induced Electron Transfer in Molecular Donor-Acceptor Systems, JPCC 117, 23391 (2013)

J E Subotnik, J Vura-Weis, A J Sodt, M A Ratner, Predicting accurate electronic excitation transfer rates via Marcus theory with Boys or Edmiston-Ruedenberg localized diabatization, JPCA 114, 8665 (2010)

J Vura-Weis, S H Abdelwahed, R Shukla, R Rathore, M A Ratner, M R Wasielewski, Crossover from single-step tunneling to multistep hopping for molecular triplet energy transfer, Science 328, 1547 (2010)

D Emin, Generalized adiabatic polaron hopping: Meyer-Neldel compensation and Poole-Frenkel behavior, PRL 100, 166602 (2008)

S S Skourtis, I A Balabin, T Kawatsu, D N Beratan, Protein dynamics and electron transfer: Electronic decoherence and non-Condon effects, PNAS 102, 3552 (2005)

Y Dakhnovskii, V Lubchenko, P Wolynes, "False tunneling" and multirelaxation time nonexponential kinetics of electron transfer in polar glasses, JCP 104, 1875 (1996)

G L Closs, J R Miller, Intramolecular Long-Distance Electron Transfer in Organic Molecules, Science 240, 440 (1988) – inverted Marcus

Y I Dakhnovskii, A A Ovchinnikov, Charge transfer in polar media. Transition-state entropy, CP 80, 17 (1983)


K Velizhanin, Nanoscale ultrafast energy and charge transfer: From approximate theories to numerically exact simulations (PhD Thesis, 2009)