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Simple liquid models with corrected dielectric constants
Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the d...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2012
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3729351/ https://ncbi.nlm.nih.gov/pubmed/22397577 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp3002383 |
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