Nonadiabatic dynamics of photoinduced proton-coupled electron transfer: Comparison of explicit and implicit solvent simulations

Journal of Physical Chemistry B

Volumn 116, Issue 26, 2012, Pages 7695-7708

  Auer, Benjamin ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CONTINUUM MECHANICS; DYNAMICS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; TIME MEASUREMENT;

BULK SOLVENTS; CHARGE-TRANSFER DYNAMICS; CONDENSED PHASE; CONTINUUM THEORY; DIELECTRIC CONTINUUM; DIELECTRIC RESPONSE; EQUILIBRIUM MOLECULAR DYNAMICS; ESSENTIAL ELEMENTS; EXPLICIT SOLVENTS; GENERALIZED LANGEVIN EQUATION; IMPLICIT SOLVENTS; LIBRATIONAL MOTIONS; MODEL SYSTEM; MULTI-STATE; NON EQUILIBRIUM; NON-ADIABATIC; NON-ADIABATIC DYNAMICS; NUCLEAR COORDINATES; PHOTO-INDUCED; PROTON-COUPLED ELECTRON TRANSFER; SOLVATION SHELL; SOLVENT COORDINATES; SOLVENT DYNAMICS; SOLVENT MOLECULES; SOLVENT RELAXATION; SURFACE HOPPING; THEORETICAL APPROACH; TIME-SCALES; ULTRA-FAST DYNAMICS; VALENCE BOND MODELS;

SOLVENTS;

EID: 84863623170     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3031682     Document Type: Article

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