Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane-Reference-Cited by-同舟云学术

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane

Published:2016-05-28 Issue:20 Volume:144 Page:204302
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Zhao Zhiqiang¹²^ORCID,Chen Jun¹²^ORCID,Zhang Zhaojun¹,Zhang Dong H.¹,Lauvergnat David³,Gatti Fabien⁴

Affiliation:

1. State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical and Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China

2. University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China

3. CNRS, Laboratoire de Chimie Physique (UMR 8000), Université Paris-Sud, F-91405 Orsay, France

4. CTMM, Institut Charles Gerhardt (UMR 5253), CC 1501, Université Montpellier, F-34095 Montpellier, Cedex 05, France

Funder

French Chinese Network in Theoretical Chemistry

National Natural Science Foundation of China (NSFC)

Ministry of Science and Technology of the People's Republic of China (MOST)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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