Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: A ubiquinol complex in solution

Journal of Chemical Physics

Volumn 126, Issue 22, 2007, Pages

  Yamamoto, Takeshi ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; COMPUTATION THEORY; ELECTROSTATICS; MATHEMATICAL MODELS; PROTONS; SCHRODINGER EQUATION;

ELECTROSTATIC FIELD; ELECTROSTATIC POTENTIAL;

ELECTRON TRANSITIONS;

DRUG DERIVATIVE; PROTON; SOLVENT; UBIQUINOL; UBIQUINONE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON; ELECTRON TRANSPORT; KINETICS; METABOLISM; QUANTUM THEORY; THERMODYNAMICS;

ELECTRON TRANSPORT; ELECTRONS; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTONS; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS; UBIQUINONE;

EID: 34250736228     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2737048     Document Type: Article

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