Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces-Reference-Cited by-同舟云学术

Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces

Published:2018-03-14 Issue:10 Volume:148 Page:102321
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Bajaj Pushp¹^ORCID,Wang Xiao-Gang²,Carrington Tucker²^ORCID,Paesani Francesco³

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, USA

2. Chemistry Department, Queen’s University, Kingston, Ontario K7L3N6, Canada

3. Department of Chemistry and Biochemistry, Materials Science and Engineering, and San Diego Supercomputer Center, University of California, San Diego, La Jolla, California 92093, USA

Funder

National Science Foundation

Gouvernement du Canada | Natural Sciences and Engineering Research Council of Canada

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5005540

Reference39 articles.

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

2. Comparative ab initio study of the structures, energetics and spectra of X[sup −]⋅(H[sub 2]O)[sub n=1–4] [X=F, Cl, Br, I] clusters