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Author(s):   Liu, G.X.; Ding, Y.H.; Li, Z.S.; Huang, X.R.; Sun, C.C.
Title:   Theoretical study on the potential energy surface of the reaction of vinyl radical (C2H3) with hydroxyl radical (OH)
Journal:   Chem. J. Chin. Univ.
Volume:   23
Page(s):   1147 - 1150
Year:   2002
Reference type:   Journal article
Squib:   2002LIU/DIN1147-1150

Reaction:   C2H3 + ·OH → CH4 + CO
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Calculations on the potential energy surface at the QCISD(T)/6-311G(2df,p)//B3LYP//6-311G(d,p) level. Transition state structures are computed.

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