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Author(s):   Peeters, J.; Vereecken, L.; Fantechi, G.
Title:   The Detailed Mechanism of the OH-Initiated Atmospheric Oxidation of α -Pinene: A Theoretical Study
Journal:   Phys. Chem. Chem. Phys.
Volume:   3
Page(s):   5489 - 5504
Year:   2001
Reference type:   Journal article
Squib:   2001PEE/VER5489-5504

Reaction:   CH3C(O)CH=CHCH(CH3)C(CH3)2O· → CH3C(O)CH=CHCH(·)CH3 + (CH3)2CO
Reaction order:   1
Temperature:   298 K
Rate expression:   no rate data available
Category:  Theory
Data type:   Transition state theory
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory/RRKM/Master equation formalism. However, rate constants are not reported. Supplementary information accompanying the article contains information on the reaction potential energy surface.

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