Kinetics of OH radical reaction with CF3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and transition state theory calculations

Mohamad Akbar Ali; B. Rajakumar

doi:10.1016/j.theochem.2010.03.006

Kinetics of OH radical reaction with CF3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and transition state theory calculations

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.03.006 ◽

2010 ◽

Vol 949 (1-3) ◽

pp. 73-81 ◽

Cited By ~ 11

Author(s):

Mohamad Akbar Ali ◽

B. Rajakumar

Keyword(s):

Transition State ◽

Transition State Theory ◽

Radical Reaction ◽

State Theory ◽

Oh Radical ◽

Kinetics Of

Download Full-text

Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde (C10H16O2): Ab Initio and Transition-State Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp209208e ◽

2012 ◽

Vol 116 (24) ◽

pp. 5856-5866 ◽

Cited By ~ 13

Author(s):

Manas Ranjan Dash ◽

B. Rajakumar

Keyword(s):

Transition State ◽

Ab Initio ◽

Transition State Theory ◽

State Theory ◽

Oh Radical ◽

Kinetics Of

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp906144d ◽

2009 ◽

Vol 113 (50) ◽

pp. 13913-13920 ◽

Cited By ~ 81

Author(s):

Claudia Zavala-Oseguera ◽

Juan R. Alvarez-Idaboy ◽

Gabriel Merino ◽

Annia Galano

Keyword(s):

Transition State ◽

Gas Phase ◽

Transition State Theory ◽

State Theory ◽

Oh Radical ◽

Gas Phase Reactions ◽

Variational Transition State Theory ◽

Aliphatic Ethers ◽

Variational Transition State

Download Full-text

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

Download Full-text

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

Download Full-text