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Author(s):   Hasson, A.S.; Kuwata, K.T.; Arroyo, M.C.; Petersen, E.B.
Title:   Theoretical studies of the reaction of hydroperoxy radicals (HO2 with ethyl peroxy (CH3CH2O2, acetyl peroxy (CH3C(O)O2) and acetonyl peroxy (CH3C(O)CH2O2 radicals
Journal:   J. Photochem. Photobiol. A Chem.
Volume:   176
Page(s):   218 - 230
Year:   2005
Reference type:   Journal article
Squib:   2005HAS/KUW218-230

Reaction:   HO2 + CH3C(O)CH2OO· → CH3C(O)CH2O· + ·OH + O2
Reaction order:   2
Reference reaction:   HO2 + CH3C(O)CH2OO· → Products
Reference reaction order:   2
Temperature:   240 - 360 K
Pressure:  1.33E-3 - 1.01 bar
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is pressure dependent
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using Master Equation analysis. Branching ratios were calculated for several temperatures and over a wide range of pressures; however, no analytical expression is given for the results. Branching ratios depend on details of the model. Their values are presented in graphs and tables.

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