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Author(s):   Wang, J.;Ding, Y.H.;Wu, G.B.;Sun, C.C.
Title:   Gaseous reaction mechanism of C2F radical with water
Journal:   J. Comput. Chem.
Volume:   27
Page(s):   363 - 367
Year:   2006
Reference type:   Journal article
Squib:   2006WAN/DIN363-367

Reaction:   H2O + C2F → HF + HCCO
Reaction order:   2
Rate expression:   no rate data available
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is pressure independent
Comments:   No reaction rate given. Ab initio study, using CCST(T)/6-311+G(2d,2p)//B3LYP/6-311G(d,p)+ZPVE energies. C2F + H2O -> HCCO + HF Ea = 43.8kcal/mol DrH = -71.3kcal/mol

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