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Extending Transferable Potentials for Phase Equilibria Force Field to Hydrofluorocarbon and Perfluorocarbons

Wednesday, November 19, 2008: 4:09 PM
Room 104-B (Pennsylvania Convention Center)

Neeraj Rai, University of Minnesota, Minneapolis, MN
J. Ilja Siepmann, Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN

Transferable potentials for phase equilibria (TraPPE) force field is extended to hydrofluorcarbons and perfluorocarbons.
Extended Abstract: File Not Uploaded
See more of this Session: Development of Intermolecular Potential Models
See more of this Group/Topical: Engineering Sciences and Fundamentals