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Hydrated Sodium Ion Clusters [Na(+)(H(2)O)(n) (n = 1–6)]: An ab initio Study on Structures and Non-covalent Interaction
Structural, thermodynamic, and vibrational characteristics of water clusters up to six water molecules incorporating a single sodium ion [Na(+)(H(2)O)(n) (n = 1–6)] are calculated using a comprehensive genetic algorithm combined with density functional theory on global search, followed by high-level...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6751288/ https://www.ncbi.nlm.nih.gov/pubmed/31572714 http://dx.doi.org/10.3389/fchem.2019.00624 |