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Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-12, Vol.119 (51), p.12607-12614

2015

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Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks

The Journal of chemical physics, 2018-07, Vol.149 (2), p.024307-024307

2018

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Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the 3CH2 + 3O2 Singlet and Triplet Potential Energy Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-10, Vol.123 (41), p.8968-8975

2019

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A Proposal for the Mechanism of the CH + CO2 Reaction

ACS omega, 2019-10, Vol.4 (18), p.17843-17849

2019

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Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-12, Vol.124 (51), p.10717-10725

2020

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Reply to “Comment on ‘Thermochemical and Kinetics of the CH3OH+(4S)N Reactional System’”

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (4), p.967-969

2019

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Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment

Journal of molecular modeling, 2022-08, Vol.28 (8), p.229-229, Article 229

2022

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Thermochemical and Kinetics of the CH3OH + (4S)N Reactional System

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (28), p.5905-5910

2018

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The influence of the environment in chemical reactivity: the HCOOH formation from the H2O + CO reaction

Journal of molecular modeling, 2021-09, Vol.27 (9), p.264-264, Article 264

2021

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Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (2), p.419-428

2017

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Hydrogen Abstraction from the Hydrazine Molecule by an Oxygen Atom

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (9), p.1628-1635

2015

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Destruction of phosphorus nitride through the N (4 S ) + PN (1Σ+) → N2 (1Σ+) + P (4 S ) reaction

Monthly notices of the Royal Astronomical Society, 2023-02, Vol.518 (4), p.5991-5996

2023

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Spin-density calculation via the graphical unitary group approach

Molecular physics, 2023-06, Vol.121 (11-12)

2023

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Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-10, Vol.127 (46), p.9842-9852

2023

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Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions

Monthly notices of the Royal Astronomical Society, 2020-10, Vol.497 (4), p.4486-4494

2020

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Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI

The Journal of chemical physics, 2017-09, Vol.147 (9), p.094306-094306

2017

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Reply to "Comment on 'Thermochemical and Kinetics of the CH 3 OH+( 4 S)N Reactional System'"

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (4), p.967-969

2019

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Thermochemical and Kinetics of the CH 3 OH + ( 4 S)N Reactional System

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-07, Vol.122 (28), p.5905-5910

2018

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Tunneling Enhancement of the Gas-Phase CH + CO 2 Reaction at Low Temperature

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-12, Vol.124 (51), p.10717-10725

2020

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Thermochemical and Kinetics of CH 3 SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (2), p.419-428

2017

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A multireference configuration interaction study of CuB and CuAl molecular constants and photoionization spectra

The Journal of chemical physics, 2013-09, Vol.139 (12), p.124316-124316

2013

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Thermochemical and kinetic investigation of the hydrazine borane as an alternative to hydrazine: The N2H4BH3 + H reactional system

Chemical physics letters, 2023-10, Vol.828, p.140731, Article 140731

2023

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Correction to: Destruction of phosphorus nitride through the N (4 S ) + PN (1 Σ +) → N2(1 Σ +) + P (4 S ) reaction

Monthly notices of the Royal Astronomical Society, 2024-10, Vol.534 (3), p.2621-2621

2024

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Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactions

Journal of molecular modeling, 2014-09, Vol.20 (9), p.2449-2449, Article 2449

2014

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry

Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model

Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks

Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the 3CH2 + 3O2 Singlet and Triplet Potential Energy Surfaces

A Proposal for the Mechanism of the CH + CO2 Reaction

Tunneling Enhancement of the Gas-Phase CH + CO2 Reaction at Low Temperature

Reply to “Comment on ‘Thermochemical and Kinetics of the CH3OH+(4S)N Reactional System’”

Accurate rate constants for elementary reactions of molecular hydrogen and carbon monoxide mixtures and the role of the H2 rich environment

Thermochemical and Kinetics of the CH3OH + (4S)N Reactional System

The influence of the environment in chemical reactivity: the HCOOH formation from the H2O + CO reaction

Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies

Hydrogen Abstraction from the Hydrazine Molecule by an Oxygen Atom

Destruction of phosphorus nitride through the N (4 S ) + PN (1Σ+) → N2 (1Σ+) + P (4 S ) reaction

Spin-density calculation via the graphical unitary group approach

Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic

Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions

Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI

Reply to "Comment on 'Thermochemical and Kinetics of the CH 3 OH+( 4 S)N Reactional System'"

Thermochemical and Kinetics of the CH 3 OH + ( 4 S)N Reactional System

Tunneling Enhancement of the Gas-Phase CH + CO 2 Reaction at Low Temperature

Thermochemical and Kinetics of CH 3 SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies

A multireference configuration interaction study of CuB and CuAl molecular constants and photoionization spectra

Thermochemical and kinetic investigation of the hydrazine borane as an alternative to hydrazine: The N2H4BH3 + H reactional system

Correction to: Destruction of phosphorus nitride through the N (4 S ) + PN (1 Σ +) → N2(1 Σ +) + P (4 S ) reaction

Thermochemical and kinetics studies of the CH3SH+S (3P) hydrogen abstraction and insertion reactions

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