Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH

Hao Sun; Hongqing He; Hongwei Gong; Xiumei Pan; Zesheng Li; Rongshun Wang

doi:10.1016/j.chemphys.2006.03.033

Theoretical investigation into the hydrogen abstraction reaction of CH3CH2F (HFC-161) with OH

Chemical Physics ◽

10.1016/j.chemphys.2006.03.033 ◽

2006 ◽

Vol 327 (1) ◽

pp. 91-97 ◽

Cited By ~ 7

Author(s):

Hao Sun ◽

Hongqing He ◽

Hongwei Gong ◽

Xiumei Pan ◽

Zesheng Li ◽

...

Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

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 ◽

Cited By ~ 10

Author(s):

Mahdi Taghikhani ◽

G. A. Parsafar

Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Oh Radical ◽

Direct Dynamics ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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The hydrogen abstraction reaction mechanism and rate constants from 200K to 2000K between sevoflurane and chlorine atom: A theoretical investigation

Chemical Physics Letters ◽

10.1016/j.cplett.2014.04.058 ◽

2014 ◽

Vol 605-606 ◽

pp. 28-34 ◽

Cited By ~ 5

Author(s):

Hongjiang Ren ◽

Xiaohui Yang ◽

Xiaojun Li ◽

Yan Liu ◽

Xiao Wei

Keyword(s):

Reaction Mechanism ◽

Chlorine Atom ◽

Theoretical Investigation ◽

Rate Constants ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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The hydrogen abstraction reaction H+CH[sub 4]. II. Theoretical investigation of the kinetics and dynamics

The Journal of Chemical Physics ◽

10.1063/1.3132594 ◽

2009 ◽

Vol 130 (18) ◽

pp. 184315 ◽

Cited By ~ 18

Author(s):

J. Espinosa-García ◽

G. Nyman ◽

J. C. Corchado

Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Kinetics And Dynamics ◽

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 investigation of the kinetics for the hydrogen abstraction reaction of 1,1,1,2-tetrafluoroethane (HFC-134a) by chlorine radical

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.06.020 ◽

2009 ◽

Vol 910 (1-3) ◽

pp. 88-92

Author(s):

Jian Li ◽

Pengzhen Wu ◽

Linlin Zhang ◽

Shujin Li

Keyword(s):

Theoretical Investigation ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hfc 134A ◽

Hydrogen Abstraction Reaction

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Theoretical Investigation of the Hydrogen Abstraction Reaction of the OH Radical with CH3CHF2(HFC152-a): A Dual Level Direct Density Functional Theory Dynamics Study

The Journal of Physical Chemistry A ◽

10.1021/jp0524173 ◽

2005 ◽

Vol 109 (36) ◽

pp. 8158-8167 ◽

Cited By ~ 20

Author(s):

Mahdi Taghikhani ◽

G. A. Parsafar ◽

Hassan Sabzyan

Keyword(s):

Density Functional Theory ◽

Theoretical Investigation ◽

Density Functional ◽

Hydrogen Abstraction ◽

Oh Radical ◽

Functional Theory ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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Thermochemical and kinetic studies of hydrogen abstraction reaction from C16H10 isomers by H atoms

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113257 ◽

2021 ◽

Vol 1201 ◽

pp. 113257

Author(s):

Dorra Khiri ◽

Sonia Taamalli ◽

Duy Quang Dao ◽

Thanh-Binh Nguyen ◽

Laurent Gasnot ◽

...

Keyword(s):

Hydrogen Abstraction ◽

Kinetic Studies ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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Extension of Structure–Reactivity Correlations for the Hydrogen Abstraction Reaction by Bromine Atom and Comparison to Chlorine Atom and Hydroxyl Radical

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b10989 ◽

2016 ◽

Vol 120 (2) ◽

pp. 183-190 ◽

Cited By ~ 3

Author(s):

Marvin L. Poutsma

Keyword(s):

Hydroxyl Radical ◽

Chlorine Atom ◽

Bromine Atom ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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Direct ab initio dynamics studies of hydrogen abstraction reaction: F+CH3CN→HF+CH2CN

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.03.006 ◽

2004 ◽

Vol 676 (1-3) ◽

pp. 105-108 ◽

Cited By ~ 2

Author(s):

Kemei Pei ◽

Haiyang Li

Keyword(s):

Ab Initio ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

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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