Simple corrections for the static dielectric constant of liquid mixtures from model force fields-Reference-Cited by-同舟云学术

Simple corrections for the static dielectric constant of liquid mixtures from model force fields

Published:2020 Issue:38 Volume:22 Page:21741-21749
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Cardona Javier¹²³⁴⁵^ORCID,Jorge Miguel¹²³⁴^ORCID,Lue Leo¹²³⁴^ORCID

Affiliation:

1. Department of Chemical and Process Engineering

2. University of Strathclyde

3. Glasgow G1 1XJ

4. UK

5. Department of Electronic and Electrical Engineering

Abstract

A correction scheme to improve predictions of dielectric constants of liquid mixtures from pair-wise additive force fields that considers electronic polarizability contributions and charge scaling.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP04034G

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4. Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes

5. Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes

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