Using Spectroscopic Data on Imidazolium Cation Conformations To Test a Molecular Force Field for Ionic Liquids-Reference-Cited by-同舟云学术

Using Spectroscopic Data on Imidazolium Cation Conformations To Test a Molecular Force Field for Ionic Liquids

Published:2006-03-22 Issue:14 Volume:110 Page:7485-7489
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Canongia Lopes José N. A.¹,Pádua Agílio A. H.²

Affiliation:

1. Centro de Química Estrutural, Instituto Superior Técnico, 1049-001 Lisboa, Portugal and Instituto de Tecnologia Química e Biológica, Oeiras, Portugal

2. Laboratoire de Thermodynamique des Solutions et des Polymères, Université Blaise Pascal Clermont-Ferrand/CNRS, 63177 Aubière, France

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/jp057533k

Reference13 articles.

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

2. A Refined Force Field for Molecular Simulation of Imidazolium-Based Ionic Liquids

3. Intermolecular potentials for simulations of liquid imidazolium salts

4. Molecular Dynamics Study of the Ionic Liquid 1-n-Butyl-3-methylimidazolium Hexafluorophosphate

5. Structure of ionic liquids of 1-alkyl-3-methylimidazolium cations: A systematic computer simulation study

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