Low-order many-body interactions determine the local structure of liquid water-Reference-Cited by-同舟云学术

Low-order many-body interactions determine the local structure of liquid water

Published:2019 Issue:35 Volume:10 Page:8211-8218
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Riera Marc¹²³⁴,Lambros Eleftherios¹²³⁴,Nguyen Thuong T.¹²³⁴,Götz Andreas W.⁵²³⁴^ORCID,Paesani Francesco¹²³⁴⁵^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry

2. University of California

3. La Jolla

4. USA

5. San Diego Supercomputer Center

Abstract

Two-body and three-body energies, modulated by higher-body terms and nuclear quantum effects, determine the structure of liquid water and require sub-chemical accuracy that is achieved by the MB-pol model but not by existing DFT functionals.

Funder

National Science Foundation

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC03291F

Reference55 articles.

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2. Water: A Tale of Two Liquids

3. The structural origin of anomalous properties of liquid water

4. Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure

5. Many-Body Effects in Intermolecular Forces

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