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...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2009
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| Online Access: | http://hdl.handle.net/20.500.11937/11452 |