Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y → products: the H + CH3Cl hydrogen abstraction reaction channel

Cipriano Rangel; José C. Corchado; Joaquín Espinosa-García

doi:10.1039/b809999e

Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y → products: the H + CH3Cl hydrogen abstraction reaction channel

Physical Chemistry Chemical Physics ◽

10.1039/b809999e ◽

2008 ◽

Vol 10 (45) ◽

pp. 6776 ◽

Cited By ~ 1

Author(s):

Cipriano Rangel ◽

José C. Corchado ◽

Joaquín Espinosa-García

Keyword(s):

Hydrogen Abstraction ◽

Type A ◽

Classical Trajectory ◽

Reaction Channel ◽

Trajectory Calculations ◽

Abstraction Reaction ◽

Polyatomic Systems ◽

Hydrogen Abstraction Reaction

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Quasi-Classical Trajectory Calculations of the Hydrogen Abstraction Reaction H + NH3

The Journal of Physical Chemistry A ◽

10.1021/jp101607n ◽

2010 ◽

Vol 114 (21) ◽

pp. 6194-6200 ◽

Cited By ~ 11

Author(s):

Joaquín Espinosa-García ◽

José C. Corchado

Keyword(s):

Hydrogen Abstraction ◽

Classical Trajectory ◽

Trajectory Calculations ◽

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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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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ChemInform Abstract: ON THE MECHANISM OF ACTION OF VITAMIN B12. MODEL STUDIES DIRECTED TOWARD THE HYDROGEN ABSTRACTION REACTION

Chemischer Informationsdienst ◽

10.1002/chin.198526369 ◽

1985 ◽

Vol 16 (26) ◽

Author(s):

P. DOWD ◽

B. K. TRIVEDI

Keyword(s):

Vitamin B12 ◽

Mechanism Of Action ◽

Hydrogen Abstraction ◽

Model Studies ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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Excitation transfer, charge transfer and hydrogen abstraction reaction, kinetic studies of modification of DNA components

Radiation Physics and Chemistry ◽

10.1016/0969-806x(95)00034-u ◽

1996 ◽

Vol 47 (2) ◽

pp. 209-212 ◽

Cited By ~ 4

Author(s):

N.Y. Lin

Keyword(s):

Charge Transfer ◽

Reaction Kinetic ◽

Hydrogen Abstraction ◽

Kinetic Studies ◽

Excitation Transfer ◽

Abstraction Reaction ◽

Dna Components ◽

Hydrogen Abstraction Reaction

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The Effects and Mechanism of the Magnetic Field on the Hydrogen Abstraction Reaction of Benzophenone and Isopropanol

Chemical Physics ◽

10.1016/j.chemphys.2022.111452 ◽

2022 ◽

pp. 111452

Author(s):

Ning Dai ◽

Zhipeng Cai ◽

Xu Zhang ◽

Kejian Li

Keyword(s):

Magnetic Field ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction ◽

The Magnetic Field

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A STUDY OF ESR SPECTRA OF ACTIVE RADICALS GENERATED IN THE PHOTOCHEMICAL HYDROGEN ABSTRACTION REACTION BETWEEN ETHYLENE TETRACHLORIDE AND HYDROCARBON OR ALCOHOL

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb19870415 ◽

1987 ◽

Vol 3 (04) ◽

pp. 412-417

Author(s):

Liu Yang ◽

◽

Xu Guangzhi

Keyword(s):

Hydrogen Abstraction ◽

Esr Spectra ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

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