Reaction-Path Dynamics Calculations of the NH3+ O(3P) Hydrogen Abstraction Reaction

J. Espinosa-García

doi:10.1021/jp000908b

Reaction-Path Dynamics Calculations of the NH3+ O(3P) Hydrogen Abstraction Reaction

The Journal of Physical Chemistry A ◽

10.1021/jp000908b ◽

2000 ◽

Vol 104 (32) ◽

pp. 7537-7544 ◽

Cited By ~ 16

Author(s):

J. Espinosa-García

Keyword(s):

Reaction Path ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

Download Full-text

The Reaction Path and Variational Rate Constant of the Hydrogen Abstraction Reaction CH2O＋O[3P]→CHO＋OH

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb20020513 ◽

2002 ◽

Vol 18 (05) ◽

pp. 446-450

Author(s):

Li Hui-Ying ◽

◽

Feng Wen-Lin ◽

Ji Yong-Qiang ◽

...

Keyword(s):

Rate Constant ◽

Reaction Path ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

Download Full-text

Infrared Spectroscopy of OH··CH3OH: Hydrogen-Bonded Intermediate Along the Hydrogen Abstraction Reaction Path

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.5b04875 ◽

2015 ◽

Vol 119 (29) ◽

pp. 8125-8132 ◽

Cited By ~ 16

Author(s):

Federico J. Hernandez ◽

Joseph T. Brice ◽

Christopher M. Leavitt ◽

Gustavo A. Pino ◽

Gary E. Douberly

Keyword(s):

Infrared Spectroscopy ◽

Reaction Path ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction ◽

Hydrogen Bonded

Download Full-text

High-level ab initio and density functional theory study on reaction path and rate constant of the hydrogen abstraction reaction SiH 2 Cl 2 +H→SiHCl 2 +H 2

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00826-5 ◽

2001 ◽

Vol 543 (1-3) ◽

pp. 11-21 ◽

Cited By ~ 1

Author(s):

Xin Yu ◽

Shen-Min Li ◽

Zhen-Feng Xu ◽

Ze-Sheng Li ◽

Chia-Chung Sun

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Reaction Path ◽

Hydrogen Abstraction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Abstraction Reaction ◽

High Level ◽

Hydrogen Abstraction Reaction

Download Full-text

Reaction-Path Dynamics Calculations Using Integrated Methods. The CF3CH3+ OH Hydrogen Abstraction Reaction

The Journal of Physical Chemistry A ◽

10.1021/jp0145513 ◽

2002 ◽

Vol 106 (23) ◽

pp. 5686-5696 ◽

Cited By ~ 9

Author(s):

J. Espinosa-García

Keyword(s):

Reaction Path ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Integrated Methods ◽

Hydrogen Abstraction Reaction

Download Full-text

Theoretical study on the reaction path dynamics and rate constants for the hydrogen-abstraction reaction of atomic O (3P) with CH2FCl

Chemical Physics Letters ◽

10.1016/j.cplett.2003.11.044 ◽

2004 ◽

Vol 383 (3-4) ◽

pp. 304-308 ◽

Cited By ~ 1

Author(s):

Qingzhu Zhang ◽

Yueshu Gu ◽

Shaokun Wang

Keyword(s):

Rate Constants ◽

Theoretical Study ◽

Reaction Path ◽

Hydrogen Abstraction ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction

Download Full-text

Ab Initio and DFT Direct Dynamics Studies on the Reaction Path and Rate Constant of the Hydrogen Abstraction Reaction: SiH3F + H → SiH2F + H2

The Journal of Physical Chemistry A ◽

10.1021/jp003460n ◽

2001 ◽

Vol 105 (16) ◽

pp. 3967-3972 ◽

Cited By ~ 7

Author(s):

Shen-Min Li ◽

Xin Yu ◽

Zhen-Feng Xu ◽

Ze-Sheng Li ◽

Chia-Chung Sun

Keyword(s):

Ab Initio ◽

Rate Constant ◽

Reaction Path ◽

Hydrogen Abstraction ◽

Direct Dynamics ◽

Abstraction Reaction ◽

Hydrogen Abstraction Reaction ◽

Ab Initio And Dft

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text