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Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory
[Image: see text] The interactions of hydrated ions with molecular and macromolecular solution and interface partners are strong on a chemical energy scale. Here, we recount the foremost ab initio theory for the evaluation of the hydration free energies of ions, namely, quasi-chemical theory (QCT)....
| 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/PMC9386901/ https://www.ncbi.nlm.nih.gov/pubmed/35829622 http://dx.doi.org/10.1021/acs.accounts.2c00078 |