Mixed quantum/classical calculations of rotationally inelastic scattering in the CO + CO system: a comparison with fully quantum results

Bostan, Dulat; Mandal, Bikramaditya; Joy, Carolin; Żółtowski, Michał; Lique, François; Loreau, Jérôme; Quintas-Sánchez, Ernesto; Batista-Planas, Adrian; Dawes, Richard; Babikov, Dmitri

doi:10.1039/D3CP05369E

Title: Mixed quantum/classical calculations of rotationally inelastic scattering in the CO + CO system: a comparison with fully quantum results

Journal Article · 21 February 2024 · Physical Chemistry Chemical Physics. PCCP

DOI: https://doi.org/10.1039/D3CP05369E · OSTI ID:2246981

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^[1]; Żółtowski, Michał ^[2];

^[2];

^[3];

^[4]; Batista-Planas, Adrian ^[4];

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^[1]

Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, USA
Univ Rennes, CNRS, IPR (Institut de Physique de Rennes)-UMR 6251, F-35000 Rennes, France
KU Leuven, Department of Chemistry, B-3001 Leuven, Belgium
Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, USA

Coordinates used to describe the CO dimer interaction.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0019740

OSTI ID:: 2246981

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Journal Name: Physical Chemistry Chemical Physics. PCCP Journal Issue: 8 Vol. 26; ISSN 1463-9076; ISSN PPCPFQ

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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