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The Journal of Chemical Physics
|
December 21, 2023
The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface
Joaquin Espinosa-Garcia, Cipriano Rangel
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2024
Kinetic study of the CN + C<sub>2</sub>H<sub>6</sub> hydrogen abstraction reaction based on an analytical potential energy surface
Joaquin Espinosa-Garcia, Somnath Bhowmick
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2018
Full-dimensional analytical potential energy surface describing the gas-phase Cl + C<sub>2</sub>H<sub>6</sub> reaction and kinetics study of rate constants and kinetic isotope effects
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2025
Potential energy surfaces: Δ-machine learning from analytical functional forms
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2017
Simulation of the experimental imaging results for the OH + CHD<sub>3</sub> reaction with a simple and accurate theoretical approach
Laurent Bonnet, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2023
Kinetics and dynamics study of the Cl(<sup>2</sup>P) + CH<sub>3</sub>OH reaction based on an analytical potential energy surface
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2009
Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations
Jose C Corchado, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2019
The hydrogen abstraction reaction H + C<sub>2</sub>H<sub>6</sub>→ H<sub>2</sub>(v,j) + C<sub>2</sub>H<sub>5</sub>. Part II. Theoretical kinetics and dynamics study
Joaquin Espinosa-Garcia, Jose C Corchado
The Journal of Physical Chemistry. B
|
June 11, 2015
Product Translational and Vibrational Distributions for the OH/OD + CH4/CD4 Reactions from Quasiclassical Trajectory Calculations. Comparison with Experiment
Joaquin Espinosa-Garcia, Jose C Corchado
The Journal of Chemical Physics
|
January 12, 2010
A five-dimensional quantum dynamics study of the F(2P) + CH4 reaction
Tianshu Chu, Keli Han, Joaquin Espinosa-Garcia
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Search research articles
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Showing results (1-10 of 24) with videos related to
Sort By:
Page
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The Journal of Chemical Physics
|
December 21, 2023
The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface
Joaquin Espinosa-Garcia, Cipriano Rangel
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2024
Kinetic study of the CN + C<sub>2</sub>H<sub>6</sub> hydrogen abstraction reaction based on an analytical potential energy surface
Joaquin Espinosa-Garcia, Somnath Bhowmick
Physical Chemistry Chemical Physics : PCCP
|
January 20, 2018
Full-dimensional analytical potential energy surface describing the gas-phase Cl + C<sub>2</sub>H<sub>6</sub> reaction and kinetics study of rate constants and kinetic isotope effects
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2025
Potential energy surfaces: Δ-machine learning from analytical functional forms
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
July 21, 2017
Simulation of the experimental imaging results for the OH + CHD<sub>3</sub> reaction with a simple and accurate theoretical approach
Laurent Bonnet, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2023
Kinetics and dynamics study of the Cl(<sup>2</sup>P) + CH<sub>3</sub>OH reaction based on an analytical potential energy surface
Cipriano Rangel, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
October 30, 2009
Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations
Jose C Corchado, Joaquin Espinosa-Garcia
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2019
The hydrogen abstraction reaction H + C<sub>2</sub>H<sub>6</sub>→ H<sub>2</sub>(v,j) + C<sub>2</sub>H<sub>5</sub>. Part II. Theoretical kinetics and dynamics study
Joaquin Espinosa-Garcia, Jose C Corchado
The Journal of Physical Chemistry. B
|
June 11, 2015
Product Translational and Vibrational Distributions for the OH/OD + CH4/CD4 Reactions from Quasiclassical Trajectory Calculations. Comparison with Experiment
Joaquin Espinosa-Garcia, Jose C Corchado
The Journal of Chemical Physics
|
January 12, 2010
A five-dimensional quantum dynamics study of the F(2P) + CH4 reaction
Tianshu Chu, Keli Han, Joaquin Espinosa-Garcia
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of 3