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Computing Ion Solvation Free Energies Using the Dipolar Poisson Model
A new continuum model is presented for computing the solvation free energies of cations in water. It combines in a single formalism based on statistical thermodynamics the Poisson model for electrostatics with the Langevin dipole model to account for nonuniform water dipole distribution around the i...
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| Autori principali: | , , |
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| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2009
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2836240/ https://ncbi.nlm.nih.gov/pubmed/19385689 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp9010907 |
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