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Isocyanoacetylene and cyanoacetylene formation study from C2H2 + CN reaction

International journal of chemical kinetics, 2022-05, Vol.54 (5), p.309-316

2022

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Theoretical study of intermolecular interaction energy for F2⋯F2 complex

Theoretical chemistry accounts, 2023, Vol.142 (9)

2023

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Theoretical studies of CN + H 2 ( D 2 ) reactions: competition between H(D)-abstractions in H ( D ) + HCN ( DCN ) / HNC ( DNC ) channels

Theoretical chemistry accounts, 2019-07, Vol.138 (7), p.1-10

2019

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Gas phase Boudouard reactions involving singlet–singlet and singlet–triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 plasmas

The European physical journal. D, Atomic, molecular, and optical physics, 2017-10, Vol.71 (10), p.1-10, Article 259

2017

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Thermal rate constant for the C(3P) + OH(X2Π) → CO(X1Σ) + H(2S) reaction using stochastic energy grained master equation method

International journal of chemical kinetics, 2019-08, Vol.51 (8), p.590-601

2019

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Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (27), p.5315-5324

2016

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Spherical harmonics representation of the potential energy surface for the H2⋯H2 van der Waals complex

Journal of molecular modeling, 2020-10, Vol.26 (10), p.277-277, Article 277

2020

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Theoretical study of the H + HCN → H + HCN process

Journal of molecular modeling, 2017-05, Vol.23 (5), p.169-169

2017

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Rate constant calculations of the C2 + HCN → CCCN+H addition via the Master Equation

Journal of molecular modeling, 2017-04, Vol.23 (4), p.1-8, Article 143

2017

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Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems

Physica scripta, 2011-08, Vol.84 (2), p.28111

2011

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Erratum to: Theoretical study of the H + HCN → H + HNC process

Journal of molecular modeling, 2017-06, Vol.23 (6), p.190-1, Article 190

2017

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Theoretical study of the H + HCN → H + HNC process

Journal of molecular modeling, 2017, Vol.23 (5), p.1-9, Article 169

2017

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Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers

Journal of molecular modeling, 2014-07, Vol.20 (7), p.2298-2298

2014

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Kinetics of the reaction of chloromethane with cyano radical

Chemical physics letters, 2023-02, Vol.812, p.140261, Article 140261

2023

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Theoretical study of intermolecular interaction energy for $$\textrm{F}_{2}\cdots \textrm{F}_{2}$$ complex

Theoretical chemistry accounts, 2023-09, Vol.142 (9), Article 89

2023

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Corrigendum to “Long-range strength and anisotropies of molecule–molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H2⋯F2 gaseous mixture” [Chem. Phys. Lett. 779 (2021) 138845]

Chemical physics letters, 2022-02, Vol.788, p.139299, Article 139299

2022

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Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H2⋯F2 gaseous mixture

Chemical physics letters, 2021-09, Vol.779, Article 138845

2021

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Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H 2 ⋯ F 2 gaseous mixture

Chemical physics letters, 2021-09, Vol.779, p.138845, Article 138845

2021

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Theoretical studies of $${{\mathrm{{CN} + {H}}_{2}({\mathrm{D}}_{2})}}$$ reactions: competition between H(D)-abstractions in $${\mathrm{H(D) + HCN(DCN)/HNC(DNC)}} $$ channels

Theoretical chemistry accounts, 2019-07, Vol.138 (7), Article 93

2019

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Theoretical studies of CN+H2(D2) reactions: competition between H(D)-abstractions in H(D)+HCN(DCN)/HNC(DNC) channels

Theoretical chemistry accounts, 2019, Vol.138 (7)

2019

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Isocyanoacetylene and cyanoacetylene formation study from C 2 H 2 + CN reaction

International journal of chemical kinetics, 2022-05, Vol.54 (5), p.309-316

2022

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Kinetics and mechanism of the CH 3 CH 2 OH with H 2 O reaction

Chemical physics letters, 2019-11, Vol.734, p.136699, Article 136699

2019

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Kinetics and mechanism of the CH3CH2OH with H2O reaction

Chemical physics letters, 2019-11, Vol.734, Article 136699

2019

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A combined crossed molecular beams and theoretical study of the reaction CN+C2H4

Chemical physics, 2015-03, Vol.449, p.34-42

2015

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The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide

AIP Conference Proceedings, 2018, Vol.2040 (1)

2018

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Isocyanoacetylene and cyanoacetylene formation study from C2H2 + CN reaction

Theoretical study of intermolecular interaction energy for F2⋯F2 complex

Theoretical studies of CN + H 2 ( D 2 ) reactions: competition between H(D)-abstractions in H ( D ) + HCN ( DCN ) / HNC ( DNC ) channels

Gas phase Boudouard reactions involving singlet–singlet and singlet–triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 plasmas

Thermal rate constant for the C(3P) + OH(X2Π) → CO(X1Σ) + H(2S) reaction using stochastic energy grained master equation method

Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials

Spherical harmonics representation of the potential energy surface for the H2⋯H2 van der Waals complex

Theoretical study of the H + HCN → H + HCN process

Rate constant calculations of the C2 + HCN → CCCN+H addition via the Master Equation

Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems

Erratum to: Theoretical study of the H + HCN → H + HNC process

Theoretical study of the H + HCN → H + HNC process

Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers

Kinetics of the reaction of chloromethane with cyano radical

Theoretical study of intermolecular interaction energy for $$\textrm{F}_{2}\cdots \textrm{F}_{2}$$ complex

Corrigendum to “Long-range strength and anisotropies of molecule–molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H2⋯F2 gaseous mixture” [Chem. Phys. Lett. 779 (2021) 138845]

Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H2⋯F2 gaseous mixture

Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H 2 ⋯ F 2 gaseous mixture

Theoretical studies of $${{\mathrm{{CN} + {H}}_{2}({\mathrm{D}}_{2})}}$$ reactions: competition between H(D)-abstractions in $${\mathrm{H(D) + HCN(DCN)/HNC(DNC)}} $$ channels

Theoretical studies of CN+H2(D2) reactions: competition between H(D)-abstractions in H(D)+HCN(DCN)/HNC(DNC) channels

Isocyanoacetylene and cyanoacetylene formation study from C 2 H 2 + CN reaction

Kinetics and mechanism of the CH 3 CH 2 OH with H 2 O reaction

Kinetics and mechanism of the CH3CH2OH with H2O reaction

A combined crossed molecular beams and theoretical study of the reaction CN+C2H4

The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide

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