Modeling Ionic Liquids Using a Systematic All-Atom Force Field
Author:
Affiliation:
1. Centro de Química Estrutural, Instituto Superior Técnico, Av. Rovisco Pais, 1049-001 Lisboa, Portugal
2. Laboratoire de Thermodynamique. des Solutions et des Polymères, Université Blaise Pascal - 24 Av. des Landes, 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/jp0362133
Reference34 articles.
1. Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis
2. Intermolecular potentials for simulations of liquid imidazolium salts
3. A Force Field for Liquid State Simulations on Room Temperature Molten Salts: 1-Ethyl-3-methylimidazolium Tetrachloroaluminate
4. Thermodynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate from Monte Carlo simulations
5. Computational Study of Room Temperature Molten Salts Composed by 1-Alkyl-3-methylimidazolium CationsForce-Field Proposal and Validation
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