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Structural Anisotropy in Polar Fluids Subjected to Periodic Boundary Conditions
A heuristic model based on dielectric continuum theory for the long-range solvation free energy of a dipolar system possessing periodic boundary conditions (PBCs) is presented. The predictions of the model are compared to simulation results for Stockmayer fluids simulated using three different cell...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3269192/ https://www.ncbi.nlm.nih.gov/pubmed/22303290 http://dx.doi.org/10.1021/ct200592k |