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Title: Temperature-dependence of the dielectric relaxation of water using non-polarizable water models

Abstract

Testing the ability of molecular dynamics simulations using non-polarizable water models to reproduce dielectric spectra of bulk liquid water we show that the Debye relaxation is determined by the dynamics of the hydrogen-bond network.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Energy Geoscience Division, Lawrence Berkeley National Laboratory, Berkeley, USA
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1579275
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 3; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Zarzycki, Piotr, and Gilbert, Benjamin. Temperature-dependence of the dielectric relaxation of water using non-polarizable water models. United Kingdom: N. p., 2020. Web. doi:10.1039/C9CP04578C.
Zarzycki, Piotr, & Gilbert, Benjamin. Temperature-dependence of the dielectric relaxation of water using non-polarizable water models. United Kingdom. doi:10.1039/C9CP04578C.
Zarzycki, Piotr, and Gilbert, Benjamin. Wed . "Temperature-dependence of the dielectric relaxation of water using non-polarizable water models". United Kingdom. doi:10.1039/C9CP04578C.
@article{osti_1579275,
title = {Temperature-dependence of the dielectric relaxation of water using non-polarizable water models},
author = {Zarzycki, Piotr and Gilbert, Benjamin},
abstractNote = {Testing the ability of molecular dynamics simulations using non-polarizable water models to reproduce dielectric spectra of bulk liquid water we show that the Debye relaxation is determined by the dynamics of the hydrogen-bond network.},
doi = {10.1039/C9CP04578C},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 3,
volume = 22,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
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