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Author(s):   Zhang, J.X.;Li, Z.S.;Liu, J.Y.;Sun, C.C.
Title:   Radical-molecule reaction CH2Cl + NO2: a mechanistic study
Journal:   Theor. Chem. Acct.
Volume:   117
Page(s):   579 - 586
Year:   2007
Reference type:   Journal article
Squib:   2007ZHA/LI579-586

Reaction:   ·CH2Cl + NO2HC(O)Cl + HNO
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   None reported
Comments:   No reaction rates given. Ab initio study, using hybrid density functional B3LYP method with a G-311G(d,p) basis set MC-QCISD//B3LYP/6-311G(d,p)+ZPE CH2Cl + NO2 -> CHClO + HNO DrH = -57.5kcal/mol

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