Structures and Spectroscopic Properties of F–(H2O)n with n = 1–10 Clusters from a Global Search Based On Density Functional Theory-Reference-Cited by-同舟云学术

Structures and Spectroscopic Properties of F–(H2O)n with n = 1–10 Clusters from a Global Search Based On Density Functional Theory

Published:2018-03-16 Issue:13 Volume:122 Page:3413-3422
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Shi Ruili¹,Wang Pengju¹,Tang Lingli²,Huang Xiaoming³,Chen Yonggang⁴,Su Yan¹^ORCID,Zhao Jijun¹^ORCID

Affiliation:

1. Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of Technology, Ministry of Education, Dalian 116024, China

2. College of Science, Dalian Minzu University, Dalian 116600, China

3. School of Ocean Science and Technology, Dalian University of Technology, Panjin Campus, Panjin 124221, China

4. Network and Information Center, Dalian University of Technology, Dalian 116024, China

Funder

Ministry of Education of the People's Republic of China

National Natural Science Foundation of China

Science Challenge Project

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b08872

Reference77 articles.

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2. Stabilization energies of Cl−, Br−, and I− ions in water clusters

3. Vibrational Spectroscopy of Small Br-·(H2O)n and I-·(H2O)n Clusters: Infrared Characterization of the Ionic Hydrogen Bond

4. Study of the structure of molecular complexes. III. Energy surface of a water molecule in the field of a fluorine or chlorine anion

5. A New Determination of the Fluoride Ion−Water Bond Energy

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