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- (686g) Development of the TraPPE-CG Force Field
2010 Annual Meeting
(686g) Development of the TraPPE-CG Force Field
Authors
Katie A. Maerzke - Presenter, Vanderbilt University
Nuno M. Ferreira Garrido - Presenter, University of Minnesota
Ioannis G. Economou - Presenter, The Petroleum Institute
Joern Siepmann - Presenter, University of Minnesota-Twin Cities
The parameterization process for the TraPPE-CG force field is described and initial results for single- and multi-component phase equilibria are presented.