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

Jingjing Zheng; Gbenga A. Oyedepo; Donald G. Truhlar

doi:10.1021/acs.jpca.5b06121

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

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b06121 ◽

2015 ◽

Vol 119 (50) ◽

pp. 12182-12192 ◽

Cited By ~ 11

Author(s):

Jingjing Zheng ◽

Gbenga A. Oyedepo ◽

Donald G. Truhlar

Keyword(s):

Hydrogen Abstraction ◽

Oh Radical ◽

Abstraction Reaction ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Kinetics of hydrogen abstraction reaction between trifluoromethyl formate and OH radical: A theoretical investigation

International Journal of Chemical Kinetics ◽

10.1002/kin.10077 ◽

2002 ◽

Vol 34 (8) ◽

pp. 500-507 ◽

Cited By ~ 8

Author(s):

Asit K. Chandra ◽

Shingo Urata ◽

Tadafumi Uchimaru ◽

Masaaki Sugie ◽

Akira Sekiya

Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Oh Radical ◽

Abstraction Reaction ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF3CH2CH2OH with OH radical

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.12.008 ◽

2013 ◽

Vol 1007 ◽

pp. 63-75 ◽

Cited By ~ 9

Author(s):

Tong-yin Jin ◽

Cheng-gang Ci ◽

Yue Wu ◽

Jing-yao Liu

Keyword(s):

Hydrogen Abstraction ◽

Theoretical Studies ◽

Oh Radical ◽

Abstraction Reaction ◽

Mechanism And Kinetics ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF2HCOOCH3 with OH radicals

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.12.019 ◽

2014 ◽

Vol 1029 ◽

pp. 91-98 ◽

Cited By ~ 7

Author(s):

Peng Zhu ◽

Li-ling Ai ◽

Hui Wang ◽

Jing-yao Liu

Keyword(s):

Hydrogen Abstraction ◽

Oh Radicals ◽

Theoretical Studies ◽

Abstraction Reaction ◽

Mechanism And Kinetics ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Theoretical Investigation of the Hydrogen Abstraction Reaction of the OH Radical with CH2FCH2F (HFC-152): A Dual-Level Direct Dynamics Study

The Journal of Physical Chemistry A ◽

10.1021/jp072403s ◽

2007 ◽

Vol 111 (33) ◽

pp. 8095-8103 ◽

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Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Oh Radical ◽

Direct Dynamics ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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Mechanism and Kinetics of the Hydrogen Abstraction Reaction of C2H3 with CH3F

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201204112 ◽

2012 ◽

Vol 28 (07) ◽

pp. 1623-1629 ◽

Cited By ~ 2

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◽

JIN Ling-Xia ◽

WANG Wei-Na ◽

WANG Wen-Liang ◽

...

Keyword(s):

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Mechanism And Kinetics ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Mechanism and Kinetics of Methane Combustion, Part I: Thermal Rate Constants for Hydrogen-Abstraction Reaction of CH4 + O(3P)

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b12125 ◽

2017 ◽

Vol 121 (11) ◽

pp. 2209-2220 ◽

Cited By ~ 6

Author(s):

Ya Peng ◽

Zhong’an Jiang ◽

Jushi Chen

Keyword(s):

Rate Constants ◽

Hydrogen Abstraction ◽

Methane Combustion ◽

Thermal Rate Constants ◽

Abstraction Reaction ◽

Mechanism And Kinetics ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF3C(O)OCH2CH3 with OH radicals

Journal of Fluorine Chemistry ◽

10.1016/j.jfluchem.2015.05.014 ◽

2015 ◽

Vol 176 ◽

pp. 61-70 ◽

Cited By ~ 3

Author(s):

Peng Zhu ◽

Xue-mei Duan ◽

Jing-yao Liu

Keyword(s):

Hydrogen Abstraction ◽

Oh Radicals ◽

Theoretical Studies ◽

Abstraction Reaction ◽

Mechanism And Kinetics ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Kinetics of Hydrogen Abstraction Reaction Class H + H−C(sp3): First-Principles Predictions Using the Reaction Class Transition State Theory

The Journal of Physical Chemistry A ◽

10.1021/jp021265y ◽

2003 ◽

Vol 107 (8) ◽

pp. 1138-1147 ◽

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Thanh N. Truong

Keyword(s):

Transition State ◽

First Principles ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Abstraction Reaction ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Development of Predictive Models of the Kinetics of a Hydrogen Abstraction Reaction Combining Quantum-Mechanical Calculations and Experimental Data

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.6b03443 ◽

2017 ◽

Vol 56 (4) ◽

pp. 815-831 ◽

Cited By ~ 4

Author(s):

Aikaterini Diamanti ◽

Claire S. Adjiman ◽

Patrick M. Piccione ◽

Anita M. Rea ◽

Amparo Galindo

Keyword(s):

Experimental Data ◽

Predictive Models ◽

Hydrogen Abstraction ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Abstraction Reaction ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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Theoretical mechanisms and kinetics of the hydrogen abstraction reaction of acetone by chlorine radical

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pp. 42-48 ◽

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Keyword(s):

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Kinetics Of ◽

Hydrogen Abstraction Reaction

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