Kinetics of the reaction of hydroxyl radical with methane and with nine chlorine- and fluorine-substituted methanes. 2. Calculation of rate parameters as a test of transition-state theory

Kyu Man Jeong; Frederick Kaufman

doi:10.1021/j100207a017

Kinetics of the reaction of hydroxyl radical with methane and with nine chlorine- and fluorine-substituted methanes. 2. Calculation of rate parameters as a test of transition-state theory

The Journal of Physical Chemistry ◽

10.1021/j100207a017 ◽

1982 ◽

Vol 86 (10) ◽

pp. 1816-1821 ◽

Cited By ~ 18

Author(s):

Kyu Man Jeong ◽

Frederick Kaufman

Keyword(s):

Transition State ◽

Hydroxyl Radical ◽

Transition State Theory ◽

State Theory ◽

Kinetics Of

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Application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of alkanes by atomic chlorine

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.02.010 ◽

2013 ◽

Vol 1011 ◽

pp. 65-74 ◽

Cited By ~ 6

Author(s):

Tammarat Piansawan ◽

Nawee Kungwan ◽

Siriporn Jungsuttiwong

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of ◽

Atomic Chlorine

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Kinetics of the hydrogen abstraction CHO + Alkane → HCHO + Alkyl reaction class: an application of the reaction class transition state theory

Theoretical Chemistry Accounts ◽

10.1007/s00214-007-0311-9 ◽

2007 ◽

Vol 120 (1-3) ◽

pp. 107-118 ◽

Cited By ~ 9

Author(s):

Lam K. Huynh ◽

Thanh N. Truong

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of

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Kinetics of the hydrogen abstraction alkane + O2 → alkyl + HO2 reaction class: an application of the reaction class transition state theory

Structural Chemistry ◽

10.1007/s11224-019-01459-x ◽

2019 ◽

Vol 31 (2) ◽

pp. 731-746

Author(s):

Maciej Baradyn ◽

Artur Ratkiewicz

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of

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Kinetics of hydrogen abstraction O(3P)+alkane→OH+alkyl reaction class: An application of the reaction class transition state theory

Combustion and Flame ◽

10.1016/j.combustflame.2007.08.006 ◽

2008 ◽

Vol 152 (1-2) ◽

pp. 177-185 ◽

Cited By ~ 15

Author(s):

Lam K. Huynh ◽

Shaowen Zhang ◽

Thanh N. Truong

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of

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An application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of hydrogen with methyl esters at the methoxy group

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.11.009 ◽

2014 ◽

Vol 1027 ◽

pp. 103-111 ◽

Cited By ~ 15

Author(s):

Quan-De Wang ◽

Xing-Jian Wang ◽

Guo-Jun Kang

Keyword(s):

Transition State ◽

Methoxy Group ◽

Transition State Theory ◽

Methyl Esters ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of

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Kinetics of the hydrogen abstraction R−OH + H → R• −OH + H2 reaction class: An application of the reaction class transition state theory

International Journal of Chemical Kinetics ◽

10.1002/kin.20531 ◽

2010 ◽

Vol 43 (2) ◽

pp. 78-98 ◽

Cited By ~ 16

Author(s):

Artur Ratkiewicz ◽

Justyna Bieniewska ◽

Thanh N. Truong

Keyword(s):

Transition State ◽

Transition State Theory ◽

Hydrogen Abstraction ◽

State Theory ◽

Kinetics Of

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Multi-structural variational transition state theory: kinetics of the 1,5-hydrogen shift isomerization of the 1-butoxyl radical including all structures and torsional anharmonicity

Physical Chemistry Chemical Physics ◽

10.1039/c2cp23692c ◽

2012 ◽

Vol 14 (12) ◽

pp. 4204 ◽

Cited By ~ 25

Author(s):

Xuefei Xu ◽

Ewa Papajak ◽

Jingjing Zheng ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Hydrogen Shift ◽

Kinetics Of ◽

Variational Transition State

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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 ◽

Cited By ~ 46

Author(s):

Shaowen Zhang ◽

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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Multi-structural variational transition state theory. Kinetics of the 1,4-hydrogen shift isomerization of the pentyl radical with torsional anharmonicity

Chemical Science ◽

10.1039/c1sc00225b ◽

2011 ◽

Vol 2 (11) ◽

pp. 2199 ◽

Cited By ~ 95

Author(s):

Tao Yu ◽

Jingjing Zheng ◽

Donald G. Truhlar

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Hydrogen Shift ◽

Kinetics Of ◽

Variational Transition State

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Direct Combined ab Initio/Transition State Theory Study of the Kinetics of the Abstraction Reactions of Halogenated Methanes with Hydrogen Atoms

The Journal of Physical Chemistry A ◽

10.1021/jp047305a ◽

2004 ◽

Vol 108 (47) ◽

pp. 10586-10593 ◽

Cited By ~ 17

Author(s):

Florent Louis ◽

Carlos A. Gonzalez ◽

Jean-Pierre Sawerysyn

Keyword(s):

Transition State ◽

Ab Initio ◽

Transition State Theory ◽

State Theory ◽

Hydrogen Atoms ◽

Halogenated Methanes ◽

Kinetics Of

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