An efficient technique for the prediction of solvent-dependent morphology: the COSMIC method

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An efficient technique for the prediction of solvent-dependent morphology: the COSMIC method

We have developed a method of calculating the solvation energy of a surface based on an implicit solvent model. This new model called COSMIC, is an extension of the established COSMO solvation approach and allows the technique to be applied to systems of any periodicity from finite molecules, throug...

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Bibliographic Details
Main Authors:	Gale, Julian, Rohl, Andrew
Format:	Journal Article
Published:	Taylor & Francis Ltd 2007
Subjects:	Statistical Mechanics Biochemistry Physical Chemistry Solvation Chemical Physics Barium sulfate Materials Chemistry Surface energy Simulation & Modeling COSMO
Online Access:	http://hdl.handle.net/20.500.11937/37099

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