Appropriate clusterset selection for the prediction of thermodynamic properties of liquid water with QCE theory-Reference-Cited by-同舟云学术

Appropriate clusterset selection for the prediction of thermodynamic properties of liquid water with QCE theory

Published:2023 Issue:14 Volume:25 Page:9846-9858
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hashim Fairuz H.¹,Yu Fiona¹,Izgorodina Ekaterina I.¹^ORCID

Affiliation:

1. 17 Rainforest Walk, School of Chemistry, Monash University, Australia

Abstract

The current study presents an unbiased pathway towards the selection of thermodynamically important small to large-sized clusters in the prediction of bulk properties of water with QCE theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03712B

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