Path integral evaluation of the quantum instanton rate constant for proton transfer in a polar solvent

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Yamamoto, Takeshi ^a   Miller, William H ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AZZOUZ-BORGIS PROBLEMS; QUANTUM INSTANTON APPROXIMATION; QUANTUM TRANSITION RATE THEORY (QTST); THERMAL RATE CONSTANT;

APPROXIMATION THEORY; FREE ENERGY; ISOTOPES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; PROTONS; SOLVENTS; THERMODYNAMICS;

QUANTUM THEORY;

EID: 18744406531     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1832598     Document Type: Article

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