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Dr. Simon N. Butler and Prof. Dr. Florian Müller-Plathe A Molecular Dynamics Study of Viscosity in Ionic Liquids Directed by Quantitative Structure–Property Relationships ChemPhysChem 13

Article first published online: 19 APR 2012 | DOI: 10.1002/cphc.201200039

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Mixing computational methods: A combined molecular dynamics (MD)/quantitative structure–property relationship (QSPR) study investigates ways to describe the origin of viscosity in ionic liquids. MD simulations of 1-butyl-3-methylimidazolium hexafluorophosphate [bmim][PF6] (see picture) point the way to better target quantities.

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