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Author(s):   de Bruin, T.JM.; Lorant, F.; Toulhoat, H.; Goddard, W.A.
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 + ·CH3Ethylbenzene
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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