Polarizability in ionic liquid simulations causes hidden breakdown of linear response theory-Reference-Cited by-同舟云学术

Polarizability in ionic liquid simulations causes hidden breakdown of linear response theory

Published:2019 Issue:3 Volume:21 Page:1023-1028
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Heid Esther¹²³⁴⁵^ORCID,Schröder Christian¹²³⁴⁵^ORCID

Affiliation:

1. University of Vienna

2. Faculty of Chemistry

3. Department of Computational Biological Chemistry

4. A-1090 Vienna

5. Austria

Abstract

Introduction of polarizability into an ionic liquid force-field affects equilibrium and nonequilibrium properties differently, thus leading to a breakdown of linear response theory.

Funder

Austrian Academy of Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP06569A

Reference58 articles.

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5. Solvation dynamics for an ion pair in a polar solvent: Time‐dependent fluorescence and photochemical charge transfer

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