Ion pair free energy surface as a probe of ionic liquid structure-Reference-Cited by-同舟云学术

Ion pair free energy surface as a probe of ionic liquid structure

Published:2020-01-07 Issue:1 Volume:152 Page:014103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Bernardino Kalil¹^ORCID,Goloviznina Kateryna²^ORCID,Gomes Margarida Costa²,Pádua Agílio A. H.²^ORCID,Ribeiro Mauro C. C.¹^ORCID

Affiliation:

1. Laboratório de Espectroscopia Molecular, Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes 748, São Paulo 05508-000, Brazil

2. Laboratoire de Chimie, ENS de Lyon, Université de Lyon, CNRS, 69364 Lyon, France

Funder

IDEX Lyon Fellowship

LNCC/MCTI, Brazil

Pôle Scientifique de Modélisation Numérique

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5128693

Reference43 articles.

1. Molecular simulation of ionic liquids: current status and future opportunities

2. Modeling Ionic Liquids Using a Systematic All-Atom Force Field

3. CL&P: A generic and systematic force field for ionic liquids modeling

4. Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids

5. Direct Correlation between Ionic Liquid Transport Properties and Ion Pair Lifetimes: A Molecular Dynamics Study

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Role of conformational entropy in low melting point of ionic liquids: a molecular dynamics simulation study;Bulletin of the Chemical Society of Japan;2023-12-01

2. Pressure and shear rate effects on viscosity and structure of imidazolium-based ionic liquids;Fluid Phase Equilibria;2022-03

3. Recent Developments in Polarizable Molecular Dynamics Simulations of Electrolyte Solutions;Journal of Computational Biophysics and Chemistry;2022-01-20

4. Role of density and electrostatic interactions in the viscosity and non-newtonian behavior of ionic liquids – a molecular dynamics study;Physical Chemistry Chemical Physics;2022

5. Relating the structure and dynamics of ionic liquids under shear by means of reverse non-equilibrium molecular dynamics simulations;Physical Chemistry Chemical Physics;2021