Theoretical study on the reaction mechanisms of C2H with O 2

Journal of Physical Chemistry A

Volumn 108, Issue 20, 2004, Pages 4428-4432

  Li, Laicai ^a   Deng, Ping ^a   Tian, Anmin ^b   Xu, Minghou ^c   Wong, Ning Bew ^d  

^a SICHUAN NORMAL UNIVERSITY   (China)

^b SICHUAN UNIVERSITY   (China)

^c HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^d CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; COMPUTATIONAL METHODS; DISSOCIATION; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; QUANTUM THEORY; REACTION KINETICS; SUBSTITUTION REACTIONS;

ETHYNYL RADICALS; MOLECULAR OXYGEN; SINGLE-POINT ENERGY CALCULATIONS; TRANSITION STATES;

HYDROCARBONS;

EID: 2642511631     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp037658u     Document Type: Article

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