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Author(s):   Wei, Z.G.; Huang, X.R.; Sun, Y.B.; Zhang, S.W.; Sun, C.C.
Title:   A theoretical study on the potential energy surface of the NCO + NO2 reaction
Journal:   J. Mol. Struct. (Theochem)
Volume:   679
Page(s):   101 - 106
Year:   2004
Reference type:   Journal article
Squib:   2004WEI/HUA101-106

Reaction:   NO2 + NCO → CO2 + N2O
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   The PES of the reaction was studied at the G3 level of theory. The N2O + CO2 product pathway was found to be the major one and the CO + 2NO product pathway is minor. No rate constant values were reported.

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