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Author(s):   Yang, Y.; Zhang, W.J.; Pei, S.X.; Shao, H.; Huang, W.; Gao, X.M.
Title:   Theoretical study on the mechanism of the N(S-4)+C2H5 reaction
Journal:   J. Mol. Struct. (Theochem)
Volume:   725
Page(s):   133 - 138
Year:   2005
Reference type:   Journal article
Squib:   2005YAN/ZHA133-138

Reaction:   CH3C(·)=NH → CH3CN + H·
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   Reaction potential energy surface was studied using quantum chemistry and product channels were analyzed. No rate constant values were calculated. The C2H4 + 3NH and the H2CN + CH3 product channels are dominant.

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