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Physical Modeling of Aqueous Solvation
We consider the free energies of solvating molecules in water. Computational modeling usually involves either detailed explicit-solvent simulations, or faster computations, which are based on implicit continuum approximations or additivity assumptions. These simpler approaches often miss microscopic...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4136392/ https://ncbi.nlm.nih.gov/pubmed/25143658 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10955-011-0232-9 |
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