Ab initio and RRKM calculations for multichannel rate constants of the C2H3 + O2 reaction

Journal of the American Chemical Society

Volumn 118, Issue 40, 1996, Pages 9759-9771

  Mebel, A M ^a   Diau, E W G ^a   Lin, M C ^a   Morokuma, K ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL REACTIONS; MOLECULAR DYNAMICS; REACTION KINETICS; SIMULATION;

AB INITIO CALCULATIONS; MULTICHANNEL RATE CONSTANTS; RRKM CALCULATIONS;

HYDROCARBONS;

ALKENE; POLYETHYLENE;

ARTICLE; CALCULATION; OXIDATION; POLYMERIZATION; REACTION ANALYSIS; THEORY;

EID: 0030577125     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja961476e     Document Type: Article

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