Rovibrational states calculations of the H<sub>2</sub>O–HCN heterodimer with the multiconfiguration time dependent Hartree method-Reference-Cited by-同舟云学术

Rovibrational states calculations of the H₂O–HCN heterodimer with the multiconfiguration time dependent Hartree method

Published:2023 Issue:46 Volume:25 Page:31813-31824
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tajouo Tela Hervé¹^ORCID,Quintas-Sánchez Ernesto²^ORCID,Dubernet Marie-Lise³^ORCID,Scribano Yohann⁴^ORCID,Dawes Richard²^ORCID,Gatti Fabien⁵,Ndengué Steve¹⁶^ORCID

Affiliation:

1. ICTP-East African Institute for Fundamental Research, University of Rwanda, Kigali, Rwanda

2. Department of Chemistry, Missouri University of Science and Technology, 65409 Rolla, Missouri, USA

3. LERMA, Observatoire de Paris, PSL Research University, CNRS, Sorbonne University, UPMC Univ Paris 06, 75014 Paris, France

4. Laboratoire Univers et Particules de Montpellier, UMR-CNRS 5299, Université de Montpellier, Place Eugène Bataillon, 34095 Montpellier, France

5. Institut de Sciences Moleculaires d’Orsay, UMR 8214, Université Paris-Sud – Université Paris-Saclay, 91405 Orsay, France

6. Department of Physics, Trinity College, 06106 Hartford, Connecticut, USA

Abstract

Water and hydrogen cyanide are two of the most common species in space and the atmosphere with the ability of binding to form dimers such as H2O–HCN.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03225F

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5. S.Scheiner et al. , Hydrogen bonding: a theoretical perspective , Oxford University Press on Demand , 1997

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