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Author(s):   Zhao, M.; Liu, P.J.; Chang, Y.F.; Sun, H.; Sun, Z.M.; Wang, R.S.
Title:   Quantum chemical investigation of the reaction mechanism of CH3O with CIO
Journal:   Acta Chim. Sin.
Volume:   63
Page(s):   1013 - 1017
Year:   2005
Reference type:   Journal article
Squib:   2005ZHA/LIU1013-1017

Reaction:   CH3 + ClO → O2(1DELTA) + CH3Cl
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Comments:   The potential energy surface and transition state structures of the title reaction was studied using QCISD/6-311+G(d,p)//B3LYP//6-311+G(3df,3pd) level calculations. The calculations include zero point energy corrections computed at the G(d,p)//B3LYP//6-311+G(3df,3pd) level.

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