Role of Short-Range Directional Interactions in Coarse-Graining of Protic/Aprotic Liquids

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Role of Short-Range Directional Interactions in Coarse-Graining of Protic/Aprotic Liquids

We study the role of short-range directional interactions in coarse-graining (CG) of protic (i.e., acetamide, methanol, ethanol, and water) and aprotic (i.e., acetone, benzene, and toluene) liquids at normal conditions. For this purpose, we introduce a new CG method in which the average interactions...

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Bibliographic Details
Main Authors:	Kowalczyk, Piotr, Gauden, P., Ciach, A.
Format:	Journal Article
Published:	American Chemical Society 2009
Online Access:	http://hdl.handle.net/20.500.11937/11452

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