Model system-bath Hamiltonian and nonadiabatic rate constants for proton-coupled electron transfer at electrode-solution interfaces

Journal of Chemical Physics

Volumn 128, Issue 24, 2008, Pages

  Navrotskaya, Irina ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; ATOMS; BIOCONVERSION; BOND STRENGTH (CHEMICAL); CHEMICAL ACTIVATION; CHEMICAL BONDS; COMPLEXATION; ELECTROLYSIS; ELECTRON TRANSITIONS; ELECTRONS; EQUATIONS OF MOTION; HAMILTONIANS; LEAD; METALLIZING; PROTON TRANSFER; PROTONS; QUANTUM CHEMISTRY;

ADIABATIC APPROXIMATIONS; AMERICAN INSTITUTE OF PHYSICS (AIP); ANDERSON; BATH MODES; CATHODIC PROCESSES; EFFECTIVE ACTIVATION ENERGY; ELECTROCHEMICAL ELECTRON; ELECTRON TRANSFER (ET); ELECTRONIC TRANSITIONS; HAMILTONIAN; INTERACTION TERM; MASTER EQUATIONS; MODEL SYSTEMS; NON ADIABATIC; PREFACTOR; PROTON COUPLED ELECTRON TRANSFER (PCET); PROTON DONORS; REDUCED-DENSITY MATRIX; SOLUTION INTERFACES; TEMPERATURE DEPENDENT; TOTAL REORGANIZATION ENERGY; VIBRATIONAL MODE (VM); VIBRATIONAL MOTIONS; VIBRONIC STATES;

RATE CONSTANTS;

EID: 46149117054     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2940203     Document Type: Article

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