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Author(s):   Sun, Y.; Zhang, Q.Y.; Ai, X.C.; Zhang, H.P.; Sun, C.C.
Title:   Theoretical study on reaction mechanism of the vinyl radical with nitrogen atom
Journal:   J. Mol. Struct. (Theochem)
Volume:   686
Page(s):   123 - 130
Year:   2004
Reference type:   Journal article
Squib:   2004SUN/ZHA123-130

Reaction:   C2H3 + NCH2CN +
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   PES of the reaction was studied at the CCSD(T)/6-311D(2df,p)//UB3LYP/6-311G(d,p) level. The mechanism of the reaction was analyzed and relative contributions of several possible channels were assessed. No rate constant values were reported.

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