H2O–CO and D2O–CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations-Reference-Cited by-同舟云学术

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H2O–CO and D2O–CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations

Published:2020-08-21 Issue:7 Volume:153 Page:074107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Felker Peter M.¹^ORCID,Bačić Zlatko²³^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA

2. Department of Chemistry, New York University, New York, New York 10003, USA

3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, 3663 Zhongshan Road North, Shanghai 200062, China

Funder

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0020566

Reference52 articles.

1. From Intermolecular Potentials to the Spectra of van der Waals Molecules, and Vice Versa

2. Exact full‐dimensional bound state calculations for (HF)2, (DF)2, and HFDF

3. Molecular Clusters: Structure and Dynamics of Weakly Bound Systems

4. Intermolecular Potentials, Internal Motions, and Spectra of van der Waals and Hydrogen-Bonded Complexes

5. Benzene–H2O and benzene–HDO: Fully coupled nine-dimensional quantum calculations of flexible H2O/HDO intramolecular vibrational excitations and intermolecular states of the dimers, and their infrared and Raman spectra using compact bases

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1. HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra- and inter-molecular bases;The Journal of Chemical Physics;2024-04-22

2. Effect of Temperature on the OH-Stretching Bands of the Methanol Dimer;The Journal of Physical Chemistry A;2024-01-05

3. H2O–HCN complex: A new potential energy surface and intermolecular rovibrational states from rigorous quantum calculations;The Journal of Chemical Physics;2023-11-01

4. HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates;The Journal of Chemical Physics;2023-06-20

5. Computing excited OH stretch states of water dimer in 12D using contracted intermolecular and intramolecular basis functions;The Journal of Chemical Physics;2023-02-24

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