scholarly journals The C-H Bond Dissociation Enthalpies and Estimation of the Kinetics of Hydrogen Abstraction by OH radical for Fluorinated Formates: A DFT Study

2001 ◽  
Vol 2 ◽  
pp. 45-51 ◽  
Author(s):  
Shingo Urata ◽  
Tadafumi Uchimaru ◽  
Asit K. Chandra ◽  
Akira Takada ◽  
Akira Sekiya
Keyword(s):  
Hydrogen Abstraction ◽  
Dft Study ◽  
Oh Radical ◽  
Bond Dissociation ◽  
Kinetics Of

Computational kinetics of the hydrogen abstraction reactions of n-propanol and iso-propanol by OH radical

2019 ◽  
Vol 21 (44) ◽  
pp. 24458-24468
Author(s):  
Xuan Guo ◽  
Rui Ming Zhang ◽  
Lu Gem Gao ◽  
Xin Zhang ◽  
Xuefei Xu
Keyword(s):  
Low Temperature ◽  
Temperature Regime ◽  
Reaction Rate ◽  
Hydrogen Abstraction ◽  
Capture Rate ◽  
Oh Radical ◽  
Negative Dependence ◽  
Reaction Rate Constants ◽  
Reactive Complex ◽  
Kinetics Of

The total reaction rate constants show a significant negative dependence on temperature in the low temperature regime and approach the capture rate for the formation of the pre-reactive complex when temperature is down to the ultracold regime.

scholarly journals Kinetics of the Hydrogen Abstraction Reaction From 2-Butanol by OH Radical

2015 ◽  
Vol 119 (50) ◽  
pp. 12182-12192 ◽  
Author(s):  
Jingjing Zheng ◽  
Gbenga A. Oyedepo ◽  
Donald G. Truhlar
Keyword(s):  
Hydrogen Abstraction ◽  
Oh Radical ◽  
Abstraction Reaction ◽  
Kinetics Of ◽  
Hydrogen Abstraction Reaction

Kinetics of Hydrogen Abstraction Reactions of Butene Isomers by OH Radical

2010 ◽  
Vol 114 (45) ◽  
pp. 12088-12098 ◽  
Author(s):  
Hongyan Sun ◽  
Chung K. Law
Keyword(s):  
Hydrogen Abstraction ◽  
Oh Radical ◽  
Kinetics Of
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