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Recombination reactions as a possible mechanism of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth

Proceedings of the National Academy of Sciences - PNAS, 2017-03, Vol.114 (12), p.3062-3067

Babikov, Dmitri

2017

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Three sources of errors in the Ehrenfest treatment of inelastic scattering and possible ways of resolving them

The Journal of chemical physics, 2017-06, Vol.146 (22), p.224107-224107

2017

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Calculation of Molecular Vibrational Spectra on a Quantum Annealer

Journal of chemical theory and computation, 2019-08, Vol.15 (8), p.4555-4563

2019

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Efficient method for calculations of ro-vibrational states in triatomic molecules near dissociation threshold: Application to ozone

The Journal of chemical physics, 2016-09, Vol.145 (11)

2016

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Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies

The Journal of chemical physics, 2014-01, Vol.140 (4), p.044306-044306

2014

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Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings

The Journal of chemical physics, 2018-10, Vol.149 (16), p.164302-164302

2018

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The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

The Journal of chemical physics, 2019-03, Vol.150 (10), p.101104-101104

2019

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On molecular origin of mass-independent fractionation of oxygen isotopes in the ozone forming recombination reaction

Proceedings of the National Academy of Sciences - PNAS, 2013-10, Vol.110 (44), p.17708-17713

2013

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Perturbation theory treatment of pseudorotation in cyclic-N3

The Journal of chemical physics, 2011-03, Vol.134 (11), p.114305-114305

Babikov, Dmitri

2011

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The role of rotation–vibration coupling in symmetric and asymmetric isotopomers of ozone

The Journal of chemical physics, 2020-04, Vol.152 (14), p.144104-144104

2020

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Four Isotope-Labeled Recombination Pathways of Ozone Formation

Molecules (Basel, Switzerland), 2021-02, Vol.26 (5), p.1289

2021

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On readout of vibrational qubits using quantum beats

The Journal of chemical physics, 2014-12, Vol.141 (22), p.224306-224306

2014

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Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system

The Journal of chemical physics, 2014-09, Vol.141 (11), p.114304-114304

2014

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Molecular dynamics on quantum annealers

Scientific reports, 2022-10, Vol.12 (1), p.16824-16824, Article 16824

2022

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Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results

The Journal of chemical physics, 2014-04, Vol.140 (13), p.134301-134301

2014

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Complexity and simplicity of optimal control theory pulses shaped for controlling vibrational qubits

The Journal of chemical physics, 2012-11, Vol.137 (19), p.194318-194318

2012

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Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions

Astronomy and astrophysics (Berlin), 2023-10, Vol.678, p.A51

2023

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Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

Astronomy and astrophysics (Berlin), 2023-03, Vol.671, p.A51

2023

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Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-11, Vol.122 (47), p.9177-9190

2018

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Efficient Method for an Approximate Treatment of the Coriolis Effect in Calculations of Quantum Dynamics and Spectroscopy, with Application to Scattering Resonances in Ozone

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (25), p.5661-5669

2021

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MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H2O + H2O

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-07, Vol.121 (26), p.4855-4867

2017

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A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (28), p.19194-1926

2016

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Properties of Feshbach and "shape"-resonances in ozone and their role in recombination reactions and anomalous isotope effects

Faraday discussions, 2018-12, Vol.212, p.259-28

2018

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Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-01, Vol.120 (3), p.319-331

2016

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Recombination reactions as a possible mechanism of mass-independent fractionation of sulfur isotopes in the Archean atmosphere of Earth

Three sources of errors in the Ehrenfest treatment of inelastic scattering and possible ways of resolving them

Calculation of Molecular Vibrational Spectra on a Quantum Annealer

Efficient method for calculations of ro-vibrational states in triatomic molecules near dissociation threshold: Application to ozone

Mixed quantum/classical calculations of total and differential elastic and rotationally inelastic scattering cross sections for light and heavy reduced masses in a broad range of collision energies

Several levels of theory for description of isotope effects in ozone: Effect of resonance lifetimes and channel couplings

The ratio of the number of states in asymmetric and symmetric ozone molecules deviates from the statistical value of 2

On molecular origin of mass-independent fractionation of oxygen isotopes in the ozone forming recombination reaction

Perturbation theory treatment of pseudorotation in cyclic-N3

The role of rotation–vibration coupling in symmetric and asymmetric isotopomers of ozone

Four Isotope-Labeled Recombination Pathways of Ozone Formation

On readout of vibrational qubits using quantum beats

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system

Molecular dynamics on quantum annealers

Rotational quenching of H2O by He: mixed quantum/classical theory and comparison with quantum results

Complexity and simplicity of optimal control theory pulses shaped for controlling vibrational qubits

Improved temperature dependence of rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions

Rate coefficients for rotational state-to-state transitions in H 2 O + H 2 O collisions for cometary and planetary applications, as predicted by mixed quantum-classical theory

Several Levels of Theory for Description of Isotope Effects in Ozone: Symmetry Effect and Mass Effect

Efficient Method for an Approximate Treatment of the Coriolis Effect in Calculations of Quantum Dynamics and Spectroscopy, with Application to Scattering Resonances in Ozone

MQCT. I. Inelastic Scattering of Two Asymmetric-Top Rotors with Application to H2O + H2O

A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependencies

Properties of Feshbach and "shape"-resonances in ozone and their role in recombination reactions and anomalous isotope effects

Recent Advances in Development and Applications of the Mixed Quantum/Classical Theory for Inelastic Scattering

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