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Understanding the Molecular Kinetics and Chemical Equilibrium Phase of Frozen CO during Bombardment by Cosmic Rays by Employing the PROCODA Code

The Astrophysical journal, 2023-07, Vol.952 (1), p.17

2023

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Stability of neutral molecular polynitrogens: energy content and decomposition mechanisms

RSC advances, 2021-06, Vol.11 (35), p.21567-21578

2021

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Modeling Cusps in Adiabatic Potential Energy Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-02, Vol.119 (8), p.1415-1421

2015

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Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-10, Vol.118 (43), p.10127-10133

2014

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Quasiclassical Trajectory Study of the Si + SH Reaction on an Accurate Double Many-Body Expansion Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-06, Vol.126 (22), p.3555-3568

2022

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Accurate theoretical predictions on the mechanisms of OSiS formation and its dissociation channels

Monthly notices of the Royal Astronomical Society, 2018-12, Vol.481 (2), p.1858-1861

2018

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Accurate DMBE potential-energy surface for CNO(2A″) and rate coefficients in C(3P)+NO collisions

The Journal of chemical physics, 2021-01, Vol.154 (3), p.034303-034303

2021

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Quasiclassical Study of the C(3P) + NO(X2Π) and O(3P) + CN(X2Σ+) Collisional Processes on an Accurate DMBE Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-08, Vol.123 (33), p.7195-7200

2019

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Correction to “Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-10, Vol.119 (42), p.10628-10628

2015

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Accurate Explicit-Correlation-MRCI-Based DMBE Potential-Energy Surface for Ground-State CNO

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (16), p.4198-4207

2018

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Accurate Double Many-Body Expansion Potential Energy Surface for N3(4A′′) from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-12, Vol.113 (52), p.14424-14430

2009

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Growth analysis of sodium-potassium alloy clusters from 7 to 55 atoms through a genetic algorithm approach

Journal of molecular modeling, 2014-09, Vol.20 (9), p.2421-2421, Article 2421

2014

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Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study

Monthly notices of the Royal Astronomical Society, 2023-02, Vol.519 (2), p.2518-2527

2023

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Predicting molecular crystals of polynitrogen (N6) structures with cage-like geometries using ab initio evolutionary algorithm

Chemical physics letters, 2024-06, Vol.844, p.141262, Article 141262

2024

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Quasiclassical Trajectory Study of Atom-Exchange and Vibrational Relaxation Processes in Collisions of Atomic and Molecular Nitrogen

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-05, Vol.114 (19), p.6063-6070

2010

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Accurate Study of the Two Lowest Singlet States of HN3: Stationary Structures and Energetics at the MRCI Complete Basis Set Limit

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (19), p.4044-4050

2013

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Accurate Potential Energy Surface for Quartet State HN2 and Interplay of N(4 S) + NH(X̃ 3Σ–) versus H + N2(A 3Σu +) Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (5), p.781-789

2020

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Accurate Potential Energy Surface for Quartet State HN 2 and Interplay of N( 4 S ) + NH( X̃ 3 Σ - ) versus H + N 2 ( A 3 Σ u + ) Reactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (5), p.781-789

2020

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A genetic algorithm survey on closed-shell atomic nitrogen clusters employing a quantum chemical approach

Journal of molecular modeling, 2018-08, Vol.24 (8), p.196-12, Article 196

2018

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The effect of intersystem crossings in N(2D) + H2 collisions

The Journal of chemical physics, 2015-05, Vol.142 (18)

2015

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Energy-switching potential energy surface for the water molecule revisited: A highly accurate singled-sheeted form

The Journal of chemical physics, 2008-07, Vol.129 (4), p.044302-044302-7

2008

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N(4S ∕2D)+N2: accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics

The Journal of chemical physics, 2012-12, Vol.137 (22), p.22A515-22A515

2012

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Influence of temperature on the chemical evolution and desorption of pure CO ices irradiated by cosmic-rays analogues

Monthly notices of the Royal Astronomical Society, 2024-02, Vol.528 (4), p.6075-6098

2024

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Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N3(2 A″) and Exploratory Dynamics Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-11, Vol.115 (44), p.12390-12398

2011

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Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate

Chemical physics letters, 2016-09, Vol.660, p.55-59

2016

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Understanding the Molecular Kinetics and Chemical Equilibrium Phase of Frozen CO during Bombardment by Cosmic Rays by Employing the PROCODA Code

Stability of neutral molecular polynitrogens: energy content and decomposition mechanisms

Modeling Cusps in Adiabatic Potential Energy Surfaces

Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics

Quasiclassical Trajectory Study of the Si + SH Reaction on an Accurate Double Many-Body Expansion Potential Energy Surface

Accurate theoretical predictions on the mechanisms of OSiS formation and its dissociation channels

Accurate DMBE potential-energy surface for CNO(2A″) and rate coefficients in C(3P)+NO collisions

Quasiclassical Study of the C(3P) + NO(X2Π) and O(3P) + CN(X2Σ+) Collisional Processes on an Accurate DMBE Potential Energy Surface

Correction to “Exploring the Utility of Many-Body Expansions: A Consistent Set of Accurate Potentials for the Lowest Quartet and Doublet States of the Azide Radical with Revisited Dynamics”

Accurate Explicit-Correlation-MRCI-Based DMBE Potential-Energy Surface for Ground-State CNO

Accurate Double Many-Body Expansion Potential Energy Surface for N3(4A′′) from Correlation Scaled ab Initio Energies with Extrapolation to the Complete Basis Set Limit

Growth analysis of sodium-potassium alloy clusters from 7 to 55 atoms through a genetic algorithm approach

Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study

Predicting molecular crystals of polynitrogen (N6) structures with cage-like geometries using ab initio evolutionary algorithm

Quasiclassical Trajectory Study of Atom-Exchange and Vibrational Relaxation Processes in Collisions of Atomic and Molecular Nitrogen

Accurate Study of the Two Lowest Singlet States of HN3: Stationary Structures and Energetics at the MRCI Complete Basis Set Limit

Accurate Potential Energy Surface for Quartet State HN2 and Interplay of N(4 S) + NH(X̃ 3Σ–) versus H + N2(A 3Σu +) Reactions

Accurate Potential Energy Surface for Quartet State HN 2 and Interplay of N( 4 S ) + NH( X̃ 3 Σ - ) versus H + N 2 ( A 3 Σ u + ) Reactions

A genetic algorithm survey on closed-shell atomic nitrogen clusters employing a quantum chemical approach

The effect of intersystem crossings in N(2D) + H2 collisions

Energy-switching potential energy surface for the water molecule revisited: A highly accurate singled-sheeted form

N(4S ∕2D)+N2: accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics

Influence of temperature on the chemical evolution and desorption of pure CO ices irradiated by cosmic-rays analogues

Ab Initio Based Double-Sheeted DMBE Potential Energy Surface for N3(2 A″) and Exploratory Dynamics Calculations

Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate

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