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Small molecule solvation changes due to the presence of salt are governed by the cost of solvent cavity formation and dispersion
We are interested in the free energies of transferring nonpolar solutes into aqueous NaCl solutions with salt concentrations upwards of 2 M, the Hofmeister regime. We use the semi-explicit assembly (SEA) computational model to represent these electrolyte solutions. We find good agreement with experi...
Gorde:
| Argitaratua izan da: | J Chem Phys |
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| Egile Nagusiak: | , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
American Institute of Physics
2014
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4241710/ https://ncbi.nlm.nih.gov/pubmed/25494789 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4900890 |
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