Simulations of Ionic Liquids, Solutions, and Surfaces

We have been using atomistic simulation for the last 10 years to study properties of imidazolium-based ionic liquids. Studies of dissolved molecules show the importance of electrostatic interactions in both aromatic and hydrogen-bonding solutes. However, the local structure strongly depends upon ion...

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Veröffentlicht in:	Accounts of chemical research 2007-11, Vol.40 (11), p.1138-1145
Hauptverfasser:	Lynden-Bell, Ruth M, Del Pópolo, Mario G, Youngs, Tristan G. A, Kohanoff, Jorge, Hanke, Christof G, Harper, Jason B, Pinilla, Carlos C
Format:	Artikel
Sprache:	eng
Schlagworte:	Cations - chemistry Computer Simulation Imidazolines - chemistry Ionic Liquids - chemistry Models, Chemical Models, Molecular Quantum Theory Sensitivity and Specificity Solutions - chemistry Surface Properties
Online-Zugang:	Volltext
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