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Title: Kinetics of the hydrogen abstraction center dot CH3 plus alkane -> CH4 plus alkyl reaction class: An application of the reaction class transition state theory
Journal: J. Phys. Chem. A
Volume: 109
Page(s): 7742 - 7750
Year: 2005
Reference type: Journal article
Squib: 2005KUN/TRU7742-7750
Reaction:
n-C4H10 + ·CH3 → CH4 + n-C4H9
Reaction order:
2
Temperature:
300 - 2500
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 with tunneling correction. Rate constants were calculated for a wide range of temperatures; however, no Arrhenius expression is given for the k(T) dependence.
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