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Title: Reaction kinetics of a selected number of elementary processes involved in the thermal decomposition of 9-methylphenanthrene using density functional theory
Journal: J. Phys. Chem. A
Volume: 108
Page(s): 10302 - 10310
Year: 2004
Reference type: Journal article
Squib: 2004DEB/LOR10302-10310
Reaction:
Benzyl + ·CH3 → Ethylbenzene
Reaction order:
2
Temperature:
300
K
Rate expression:
8.32x10-14 [cm3/molecule s] e6276 [J/mole]/RT
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is high pressure limit
Comments:
Rates were calculated over a wide range of temperatures but only the 300 K Arrhenius expression is presented. This reaction was used as a model for the recombination of 9-methylphenanthryl radical with methyl.
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