Test of the quantum instanton approximation for thermal rate constants for some collinear reactions

Journal of Chemical Physics

Volumn 120, Issue 14, 2004, Pages 6356-6362

  Ceotto, Michele ^a   Miller, William H ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; HAMILTONIANS; MATHEMATICAL MODELS; MONTE CARLO METHODS; NANOSTRUCTURED MATERIALS; QUANTUM THEORY; REACTION KINETICS; THERMAL EFFECTS; TRANSITION METAL ALLOYS;

BIOMOLECULAR SYSTEMS; QUANTUM INSTANTON APPROXIMATION; SEMICLASSICAL (SC) INSTANTON; TRANSITION STATE THEORY;

RATE CONSTANTS;

EID: 2342563859     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1666064     Document Type: Article

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