| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5408271 | Journal of Molecular Liquids | 2017 | 31 Pages |
Abstract
Our motivation for this work focused mostly in force field development for specific individual ionic liquids capable of reproducing thermodynamic properties in condensed phase, such as density, heats of vaporization, surface tension, and static dielectric constants for applications oriented as absorption and reaction media for QM/MM and free energy calculations.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Thermodynamic properties of the 1-butyl-3-methylimidazolium mesilate ionic liquid [C4mim][OMs] in condensed phase, using molecular simulations](/preview/png/5408271.png "First Page Preview: Thermodynamic properties of the 1-butyl-3-methylimidazolium mesilate ionic liquid [C4mim][OMs] in condensed phase, using molecular simulations")
Authors
Sandra Hernández-RÃos, Joel Sánchez-Badillo, Marco Gallo, Pablo López-Albarran, Jorge Gaspar-Armenta, Raúl González-GarcÃa,