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)....

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Detalles Bibliográficos
Autores principales: Gomez, Diego T., Pratt, Lawrence R., Asthagiri, Dilipkumar N., Rempe, Susan B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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