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Author(s):   Kuwata, K.T.; Valin, L.C.; Converse, A.D.
Title:   Quantum chemical and master equation studies of the methyl vinyl carbonyl oxides formed in isoprene ozonolysis
Journal:   J. Phys. Chem. A
Volume:   109
Page(s):   10710 - 10725
Year:   2005
Reference type:   Journal article
Squib:   2005KUW/VAL10710-10725

Reaction:   1-methyl-1-ethenyl-2,3,4-trioxacyclopentane → methyl vinyl dioxirane + CH2O
Reaction order:   1
Reference reaction:   1-methyl-1-ethenyl-2,3,4-trioxacyclopentane → Products
Reference reaction order:   1
Temperature:   298 K
Pressure:  1.01 bar
Rate expression:   7.2x10-1
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   None reported
Comments:   Reaction potential energy surface was studied using quantum chemistry and reaction branching fractions were calculated using RRKM theory with master equation simulations.

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