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QCT dynamics study of OH/OD + GeH4 reactions. The problem of water bending excitation

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (2), p.158-1589

2017

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The trans/cis ratio of formic (HCOOH) and thioformic (HC(O)SH) acids in the interstellar medium

Astronomy and astrophysics (Berlin), 2022-02, Vol.658, p.A150

2022

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Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-01, Vol.118 (3), p.554-560

2014

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Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface

The Journal of chemical physics, 2013-06, Vol.138 (21), p.214306-214306

2013

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Analytical Potential Energy Surface and Kinetics of the NH3 + H → NH2 + H2 Hydrogen Abstraction and the Ammonia Inversion Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-04, Vol.114 (12), p.4455-4463

2010

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Theoretical study of the Cl(2P) + SiH4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

Physical chemistry chemical physics : PCCP, 2021-10, Vol.23 (37), p.21065-21077

2021

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Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction

Physical chemistry chemical physics : PCCP, 2012-05, Vol.14 (2), p.7497-758

2012

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Theoretical study of the O(3P) + C2H6 reaction based on a new ab initio-based global potential energy surface

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (39), p.22591-22601

2020

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F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19860-19870

2018

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Correction to Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (25), p.5709-5710

2021

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Kinetics and dynamics study of the OH + C2H6 → H2O + C2H5 reaction based on an analytical global potential energy surface

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (26), p.14796-14810

2020

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Trapping of the OH Radical by α-Tocopherol: A Theoretical Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-06, Vol.109 (21), p.4777-4784

2005

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Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (25), p.16941-16949

2016

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QCT study of the vibrational and translational role in the H + C2H6(ν1, ν2, ν5, ν7, ν9 and ν10) reactions

Theoretical chemistry accounts, 2019-10, Vol.138 (10), p.1-15, Article 116

2019

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Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH4→HCl+CH3

The Journal of chemical physics, 2000-06, Vol.112 (21), p.9375-9389

2000

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QCT dynamics study of OH/OD + GeH 4 reactions. The problem of water bending excitation

Physical chemistry chemical physics : PCCP, 2017-01, Vol.19 (2), p.1580-1589

2017

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Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions

Theoretical chemistry accounts, 2019-10, Vol.138 (10), p.1-5, Article 119

2019

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Quasi-classical Trajectory Calculations Analyzing the Role of Bending Mode Excitations of Methane in the Cl + CH4 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-08, Vol.110 (31), p.9568-9574

2006

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F( 2 P) + C 2 H 6 → HF + C 2 H 5 kinetics study based on a new analytical potential energy surface

Physical chemistry chemical physics : PCCP, 2018-08, Vol.20 (30), p.19860-19870

2018

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Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl + CH4 reaction

The Journal of chemical physics, 2006-02, Vol.124 (7), p.74312-74312

2006

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Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-12, Vol.111 (51), p.13515-13520

2007

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Classical description in a quantum spirit of the prototype four-atom reaction OH + D2

Physical chemistry chemical physics : PCCP, 2010-04, Vol.12 (15), p.3873-3877

2010

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Product Angular Distribution for the H + CD4 → HD + CD3 Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-09, Vol.110 (37), p.10715-10719

2006

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Theoretical study of the Cl(P) + SiH reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (37), p.2165-2177

2021

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Theoretical study of the Cl( 2 P) + SiH 4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (37), p.21065-21077

2021

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QCT dynamics study of OH/OD + GeH4 reactions. The problem of water bending excitation

The trans/cis ratio of formic (HCOOH) and thioformic (HC(O)SH) acids in the interstellar medium

Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction

Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface

Analytical Potential Energy Surface and Kinetics of the NH3 + H → NH2 + H2 Hydrogen Abstraction and the Ammonia Inversion Reactions

Theoretical study of the Cl(2P) + SiH4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

Quasi-classical trajectory study of the role of vibrational and translational energy in the Cl(2P) + NH3 reaction

Theoretical study of the O(3P) + C2H6 reaction based on a new ab initio-based global potential energy surface

F(2P) + C2H6 → HF + C2H5 kinetics study based on a new analytical potential energy surface

Correction to Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction

Kinetics and dynamics study of the OH + C2H6 → H2O + C2H5 reaction based on an analytical global potential energy surface

Trapping of the OH Radical by α-Tocopherol: A Theoretical Study

Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface

QCT study of the vibrational and translational role in the H + C2H6(ν1, ν2, ν5, ν7, ν9 and ν10) reactions

Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH4→HCl+CH3

QCT dynamics study of OH/OD + GeH 4 reactions. The problem of water bending excitation

Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions

Quasi-classical Trajectory Calculations Analyzing the Role of Bending Mode Excitations of Methane in the Cl + CH4 Reaction

F( 2 P) + C 2 H 6 → HF + C 2 H 5 kinetics study based on a new analytical potential energy surface

Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl + CH4 reaction

Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves

Classical description in a quantum spirit of the prototype four-atom reaction OH + D2

Product Angular Distribution for the H + CD4 → HD + CD3 Reaction

Theoretical study of the Cl(P) + SiH reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

Theoretical study of the Cl( 2 P) + SiH 4 reaction: global potential energy surface and product pair-correlated distributions. Comparison with experiment

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