Path integral calculation of thermal rate constants within the quantum instanton approximation: Application to the H+CH4→H 2+CH3 hydrogen abstraction reaction in full Cartesian space

Journal of Chemical Physics

Volumn 120, Issue 7, 2004, Pages 3100-3107

  Zhao, Yi ^a   Yamamoto, Takeshi ^a   Miller, William H ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ASYMPTOTIC STABILITY; DEGREES OF FREEDOM (MECHANICS); MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MONTE CARLO METHODS; POTENTIAL ENERGY; PROBLEM SOLVING; QUANTUM THEORY; VECTORS;

QUANTUM INSTANTON (QI) APPROXIMATION; THERMAL RATE CONSTANT;

RATE CONSTANTS;

EID: 1642382065     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1641006     Document Type: Article

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