Explicitly correlated potential energy surface of the CO2–CO van der Waals dimer and applications-Reference-Cited by-同舟云学术

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Explicitly correlated potential energy surface of the CO2–CO van der Waals dimer and applications

Published:2019 Issue:28 Volume:21 Page:15871-15878
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Badri Ayda¹²³⁴⁵^ORCID,Shirkov Leonid⁶⁷⁸⁹^ORCID,Jaidane Nejm-Eddine¹²³⁴⁵,Hochlaf Majdi¹⁰¹¹¹²¹³¹⁴^ORCID

Affiliation:

1. Laboratoire de Spectroscopie Atomique

2. Moléculaire et Applications LSAMA LR01ES09

3. Université de Tunis El Manar

4. Tunis

5. Tunisia

6. Faculty of Chemistry

7. Adam Mickiewicz University

8. 61-614 Poznań

9. Poland

10. Université Paris-Est

11. Laboratoire Modélisation et Simulation Multi Echelle

12. MSME UMR 8208 CNRS

13. 77454 Marne-la-Vallée

14. France

Abstract

Using ab initio methodology, we generated the 4D-PES of the CO₂–CO complex for spectroscopic and dynamical computations.

Funder

European Commission

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP02657F

Reference42 articles.

1. Infrared diode‐laser spectroscopy and Fourier‐transform microwave spectroscopy of the (CO2,CO) dimer in a pulsed jet

2. Weakly bound complexes of carbon monoxide

3. Global Fit of Torsion–Rotation Transitions in the Ground and First Excited Torsional States of13C-Methanol

4. The Electric Dipole Moment of the CO2–CO van der Waals Complex

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