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cond-mat.soft2005

A Molecular Dynamics Computer Simulation Study of Room-Temperature Ionic Liquids: II. Equilibrium and Nonequilibrium Solvation Dynamics

Y. Shim, M. Y. Choi, H. J. Kim

The molecular dynamics (MD) simulation study of solvation structure and free energetics in 1-ethyl-3-methylimidazolium chloride and 1-ethyl-3-methylimidazolium hexafluorophosphate…