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Group contributions to the solvation free energy from MST continuum calculations
Group contributions to the free energy of solvation in water and octanol as well as to the octanol/water partitioncoefficient have been determined from Miertus-Scrocco-Tomasi continuum calculations. Particular attention ispaid to the influence exerted by the procedure used to carry out the charge no...
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| Publicado en: | Brazilian Journal of Physics |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Sociedade Brasileira de Física
2004
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| Assuntos: | |
| Acceso en liña: | https://www.redalyc.org/articulo.oa?id=46434107 |
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