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Title: Density functional theory study on OH-Initiated atmospheric oxidation of m-xylene
Journal: J. Phys. Chem. A
Volume: 112
Page(s): 4314 - 4323
Year: 2008
Reference type: Journal article
Squib: 2008FAN/ZHA4314-4323
Reaction:
1,3-Dimethylbenzene + ·OH → 2,6-dimethylcyclohexa-1,5-dien-1-ol
Reaction order:
2
Temperature:
300
K
Rate expression:
3.52x10-11 [cm3/molecule s]
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is high pressure limit
Comments:
The authors presented the Arrhenius expressions for rate constant using erroneous units [cm3mole-1s-1]
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