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A molecular site-site integral equation that yields the dielectric constant
Our recent derivation [K. M. Dyer et al., J. Chem. Phys. 127, 194506 (2007)] of a diagrammatically proper, site-site, integral equation theory using molecular angular expansions is extended to polar fluids. With the addition of atomic site charges we take advantage of the formal long-ranged potentia...
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| Autori principali: | , , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Institute of Physics
2008
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2596637/ https://ncbi.nlm.nih.gov/pubmed/19044929 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2976580 |
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