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Author(s):   Chen, L.P.; Hong, S.G.
Title:   Theoretical study on gas-phase pyrolytic reactions of N-ethyl, N-isopropyl and N-t-butyl substituted 2-aminopyrazine
Journal:   Chin. J. Chem.
Volume:   21
Page(s):   126 - 129
Year:   2003
Reference type:   Journal article
Squib:   2003CHE/HON126-129

Reaction:   N-t-butyl-2-aminopyrazine → C4H5N3 + iso-C4H10
Reaction order:   1
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   This study determined transition structures of the reaction with ab initio calculations at the B3LYP/6-31G* and MP2/6-31G* level. Single point energies were determined at the B3LYP/6-311+G(2d,p) level.

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