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Author(s):   Park, J.; Stephens, J.C.; Zhang, R.; North, S.W.
Title:   Theoretical Study of the Alkoxy Radicals Derived From Isoprene: Pressure- and Temperature-Dependent Decomposition Rates
Journal:   J. Phys. Chem. A
Volume:   107
Page(s):   6408 - 6414
Year:   2003
Reference type:   Journal article
Squib:   2003PAR/STE6408-6414

Reaction:   CH2=C(CH3)CH(OH)CH2O· → CH2=C(CH3)CH(·)OH + CH2O
Reaction order:   1
Temperature:   300 K
Pressure:  1.01 bar
Rate expression:   6.71x107 [s-1]
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is pressure dependent
Comments:   The authors report calculated pressure- and temperature-dependent thermal decomposition rates for the primary alkoxy radicals derived from OH-initiated oxidation of isoprene. Their master-equation calculations are based on ab initio energetics and structures.

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