Nonadiabatic dynamics of electron transfer in solution: Explicit and implicit solvent treatments that include multiple relaxation time scales

Journal of Chemical Physics

Volumn 140, Issue 3, 2014, Pages

  Schwerdtfeger, Christine A ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL MODELS; CONTINUUM MECHANICS; DIFFERENCE EQUATIONS; DIFFERENTIAL EQUATIONS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; RATE CONSTANTS; RELAXATION TIME; STOCHASTIC SYSTEMS; TIME MEASUREMENT;

CHEMICAL AND BIOLOGICALS; DIELECTRIC CONTINUUM THEORIES; IMPLICIT SOLVENT MODEL; MOLECULAR DYNAMICS SIMULATIONS; MULTIPLE-RELAXATION TIME; NON-ADIABATIC DYNAMICS; RELAXATION TIME SCALE; SHORT-TIME INERTIAL RESPONSE;

ORGANIC SOLVENTS;

SOLUTION AND SOLUBILITY; SOLVENT;

CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; SOLUTION AND SOLUBILITY; THERMODYNAMICS;

COMPUTER SIMULATION; ELECTRONS; MODELS, CHEMICAL; SOLUTIONS; SOLVENTS; THERMODYNAMICS;

EID: 84893246404     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4855295     Document Type: Article

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