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Title: Kinetics of the hydrogen abstraction OH plus alkane -> H2O plus alkyl reaction class: An application of the reaction class transition state theory
Journal: J. Phys. Chem. A
Volume: 110
Page(s): 473 - 484
Year: 2006
Reference type: Journal article
Squib: 2006HUY/RAT473-484
Reaction:
C3H8 + ·OH → 2-C3H7 + H2O
Reaction order:
2
Temperature:
300 - 3000
K
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Pressure dependence:
Rate constant is pressure independent
Comments:
Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using Reaction Class Transition State Theory with tunneling correction. . Rate constants were calculated for a wide range of temperatures; however, no temperature dependent rate constant values and no Arrhenius expression are given in the article.
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