Solvation of Li+ by argon: how important are three-body forces?-Reference-Cited by-同舟云学术

Solvation of Li+ by argon: how important are three-body forces?

Published:2017 Issue:37 Volume:19 Page:25707-25716
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Prudente Frederico V.¹²³⁴^ORCID,Marques Jorge M. C.⁵⁶⁷⁸⁹^ORCID,Pereira Francisco B.¹⁰¹¹⁹¹²¹³^ORCID

Affiliation:

1. Instituto de Física

2. Universidade Federal da Bahia

3. 40170-115 Salvador

4. Brazil

5. CQC

6. Department of Chemistry

7. University of Coimbra

8. 3004-535 Coimbra

9. Portugal

10. Instituto Superior de Engenharia de Coimbra Quinta da Nora

11. 3030-199 Coimbra

12. Centro de Informática e Sistemas da Universidade de Coimbra (CISUC)

13. 3030-290 Coimbra

Abstract

A global geometry search on a new potential energy surface for Li⁺Ar_n clusters revealed that three-body interactions must be included to reproduce ab initio structures and accurate energetic features.

Funder

Fundação para a Ciência e a Tecnologia

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP04549B

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