Hydration of Heavy Alkaline-Earth Cations Studied by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy

[Image: see text] The physicochemical properties of the three heaviest alkaline-earth cations, Sr(2+), Ba(2+), and Ra(2+) in water have been studied by means of classical molecular dynamics (MD) simulations. A specific set of cation–water intermolecular potentials based on ab initio potential energy...

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Detalles Bibliográficos
Autores principales: Pappalardo, Rafael R., Caralampio, Daniel Z., Martínez, José M., Sánchez Marcos, Enrique
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512670/
https://www.ncbi.nlm.nih.gov/pubmed/34387993
http://dx.doi.org/10.1021/acs.inorgchem.1c01888

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8512670/
https://www.ncbi.nlm.nih.gov/pubmed/34387993
http://dx.doi.org/10.1021/acs.inorgchem.1c01888

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