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Crustwater: Modeling Hydrophobic Solvation
[Image: see text] We describe Crustwater, a statistical mechanical model of nonpolar solvation in water. It treats bulk water using the Cage Water model and introduces a crust, i.e., a solvation shell of coordinated partially structured waters. Crustwater is analytical and fast to compute. We comput...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393863/ https://www.ncbi.nlm.nih.gov/pubmed/35926838 http://dx.doi.org/10.1021/acs.jpcb.2c02695 |