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Accessibility information
Author(s):   Cours, T.;Canneaux, S.;Bohr, F.
Title:   Features of the potential energy surface for the reaction of HO2 radical with acetone
Journal:   Int. J. Quant. Chem.
Volume:   107
Page(s):   1344 - 1354
Year:   2007
Reference type:   Journal article
Squib:   2007COU/CAN1344-1354

Reaction:   (CH3)2CO + HO2CH3C(O)CH2(·) + H2O2
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 rates given. Ab initio study, using quantum chemical computations. CCSD(T)/6-311G(d,p) energies. (CH3)2CO + HO2 -> CH3COCH2 + H2O2 Ea = 89.3kJ/mol DrH = 56.7kJ/mol

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