An ab initio molecular dynamics study of the roaming mechanism of the H2+HOC+ reaction

Physica Scripta

Volumn 84, Issue 2, 2011, Pages

  Yu, Hua Gen ^a  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS; DRIVING FORCES; ION-MOLECULE REACTION; QUASI-CLASSICAL TRAJECTORY METHOD; REACTION MECHANISM; TEMPERATURE RANGE; THERMAL RATE COEFFICIENTS;

DYNAMICS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

REACTION KINETICS;

EID: 80051698161     PISSN: 00318949     EISSN: 14024896     Source Type: Journal    
DOI: 10.1088/0031-8949/84/02/028104     Document Type: Article

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