Ab initio study for the hydrogen abstraction reaction C 2H 5+H→C 2H 4+H 2

Journal of Molecular Structure: THEOCHEM

Volumn 682, Issue 1-3, 2004, Pages 163-170

  Zhang, Yue ^a,b   Li, Qian Shu ^a   Zhang, Shaowen ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

^b Shijiazhuang Normal College   (China)

Author keywords

Ab initio; C 2H 5 radical; Direct dynamics

Indexed keywords

HYDROGEN;

AB INITIO CALCULATION; ARTICLE; CHEMICAL REACTION KINETICS; ENERGY; GEOMETRY; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; TEMPERATURE DEPENDENCE;

EID: 4344561806     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.041     Document Type: Article

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