Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide-Reference-Cited by-同舟云学术

Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide

Published:2010-12-20 Issue:4 Volume:115 Page:693-702
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Kohagen Miriam¹,Brehm Martin¹,Thar Jens¹,Zhao Wei¹,Müller-Plathe Florian¹,Kirchner Barbara¹

Affiliation:

1. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstrasse 2, D-04103 Leipzig, Germany, Department of Biological Sciences, University of Calgary, Calgary, AB T2N, Canada, and Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Center of Smart Interfaces, Technische Universität Darmstadt, Petersenstrasse 20, D-64287 Darmstadt, Germany

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp109612k

Reference67 articles.

1. Atomistic Simulation of the Thermodynamic and Transport Properties of Ionic Liquids

2. Intermolecular Forces in an Ionic Liquid ([Mmim][Cl]) versus Those in a Typical Salt (NaCl)

3. Ionic Liquid Crystals

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