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Author(s):
Lien, P.-Y.; You, R.-M.; Hu, W.-P.
Title:
Theoretical Modeling of the Hydrogen Abstraction Reaction of Fluoromethane by the Hydroxyl Radical
Journal:
J. Phys. Chem. A
Volume:
105
Page(s):
2391 - 2400
Year:
2001
Reference type:
Journal article
Squib:
2001LIE/YOU2391-2400
Reaction:
CH3F + ·OH → ·CH2F + H2O
Reaction order:
2
Rate expression:
no rate data available
Category: Theory
Data type:
Transition state theory
Comments:
Dual-level variational transition-state theory applied to model the reaction. The classical barrier height was taken as an ajustable parameter to fit the experimental data.
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