Direct simulation of proton-coupled electron transfer across multiple regimes

Journal of Chemical Physics

Volumn 138, Issue 13, 2013, Pages

  Kretchmer, Joshua S ^a   Miller III, Thomas F ^a  

^a California Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; RAISE DRIVING;

CHARGE CANCELLATION; HYDROGEN-ATOM TRANSFER; PROTON COUPLED ELECTRON TRANSFER REACTIONS; PROTON COUPLED ELECTRON TRANSFERS; REACTION MECHANISM; REORGANIZATION ENERGIES; THERMAL REACTION RATES; TRANSFERRING PARTICLE;

REACTION RATES;

POLYMER; PROTON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; ELECTRON; ELECTRON TRANSPORT; KINETICS; MOLECULAR DYNAMICS; THERMODYNAMICS;

ELECTRON TRANSPORT; ELECTRONS; KINETICS; MODELS, CHEMICAL; MOLECULAR DYNAMICS SIMULATION; POLYMERS; PROTONS; THERMODYNAMICS;

EID: 84876156363     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4797462     Document Type: Article

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