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Items for "Force Field"

A Refined All-Atom Model for the Ionic Liquid 1-n-Butyl 3-Methylimidazolium bis(Trifluoromethylsulfonyl)imide [bmim][Tf2N]

A refined flexible all-atom model for a room temperature ionic liquid, 1-n-butyl 3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([bmim][Tf2N]), is reported here...

Keywords: Ionic Liquids, molecular modelling, Force Field, molecular dynamics

11/2007 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag