Gaussian-2 theoretical and direct ab initio molecular dynamics study of the reaction of O(3P) with thiirane, O(3P) + C2H4S(1A1) → SO(3Σ-) + C2H4(1A(g))

Physical Chemistry Chemical Physics

Volumn 2, Issue 4, 2000, Pages 869-876

  Ishikawa, Yasuyuki ^a   Gong, Yuchuan ^a   Weiner, Brad R ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL REACTION; DESULFURIZATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; THEORY;

EID: 0034651264     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a907976i     Document Type: Article

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