Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions-Reference-Cited by-同舟云学术

Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions

Published:2020 Issue:5 Volume:22 Page:2792-2802
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Avila Gustavo¹²³⁴⁵^ORCID,Papp Dóra⁶⁷¹⁸⁹^ORCID,Czakó Gábor⁶⁷¹⁸⁹^ORCID,Mátyus Edit¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Chemistry

2. ELTE

3. Eötvös Loránd University

4. Pázmány Péter sétány 1/A

5. 1117 Budapest

6. MTA-SZTE Lendület Computational Reaction Dynamics Research Group

7. Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science

8. University of Szeged

9. Rerrich Béla tér 1

Abstract

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH₄·Ar van-der-Waals complex.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Nemzeti Kutatási Fejlesztési és Innovációs Hivatal

Emberi Eroforrások Minisztériuma

Magyar Tudományos Akadémia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP04426D

Reference61 articles.

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