Nuclear quantum effects on the thermodynamic, structural, and dynamical properties of water-Reference-Cited by-同舟云学术

Nuclear quantum effects on the thermodynamic, structural, and dynamical properties of water

Published:2021 Issue:11 Volume:23 Page:6914-6928
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Eltareb Ali¹²³⁴⁵^ORCID,Lopez Gustavo E.⁶⁷⁸⁴⁹,Giovambattista Nicolas¹²³⁴⁵^ORCID

Affiliation:

1. Department of Physics

2. Brooklyn College of the City University of New York

3. Brooklyn

4. USA

5. Ph.D. Program in Physics

6. Department of Chemistry

7. Lehman College of the City University of New York

8. Bronx

9. Ph.D. Program in Chemistry

Abstract

The properties of H₂O and D₂O are investigated using PIMD simulations atT≥ 210 K,P= 1 bar. Anomalous maxima in thermodynamic response functions are found, supporting the presence of a liquid–liquid critical point atP> 0.

Funder

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP04325G

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4. Water: A Tale of Two Liquids

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