Quantum instanton evaluation of the thermal rate constants and kinetic isotope effects for SiH4+H→SiH3+H2 reaction in full Cartesian space

Journal of Chemical Physics

Volumn 126, Issue 11, 2007, Pages

  Wang, Wenji ^a   Feng, Shulu ^a,b   Zhao, Yi ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITY; QUANTUM INSTANTON; VIBROTATIONAL COUPLING;

ACTIVATION ENERGY; MONTE CARLO METHODS; QUANTUM THEORY; RATE CONSTANTS; REACTION KINETICS;

SILICON COMPOUNDS;

EID: 34047188111     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2714510     Document Type: Article

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