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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| 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 |