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Author(s):   Kungwan, N.; Truong, T.N.
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 + ·CH3CH4 + sec-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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