Automated Construction of Potential Energy Surfaces Suitable to Describe van der Waals Complexes with Highly Excited Nascent Molecules: The Rotational Spectra of Ar–CS(v) and Ar

Automated Construction of Potential Energy Surfaces Suitable to Describe van der Waals Complexes with Highly Excited Nascent Molecules: The Rotational Spectra of Ar–CS(v) and Ar–SiS(v)

Published:2020-05-05 Issue:22 Volume:124 Page:4445-4454
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Quintas-Sánchez Ernesto¹^ORCID,Dawes Richard¹^ORCID,Lee Kelvin²,McCarthy Michael C.²³

Affiliation:

1. Department of Chemistry, Missouri University of Science and Technology, Rolla, Missouri 65409, United States

2. Harvard-Smithsonian Center for Astrophysics, Cambridge, Massachusetts 02138, United States

3. School of Engineering and Applied Sciences, Harvard University, 29 Oxford Street, Cambridge, Massachusetts 02138, United States

Funder

US national science foundation

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c02685

Reference49 articles.

1. Attacking a Small Beast: Ar–CO, a Prototype for Intermolecular Forces

2. Anab initiostudy of the potential energy surface and spectrum of Ar–CO

3. The infrared spectrum of the Ar-CO complex Comprehensive analysis including van der Waals stretching and bending states

4. The potential energy surface of the Ar-CO complex obtained using high-resolution data

5. Three-dimensional potential energy surface of Ar–CO

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