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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...

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Detalles Bibliográficos
Autores principales: Wang, Pengju, Shi, Ruili, Su, Yan, Tang, Lingli, Huang, Xiaoming, Zhao, Jijun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2019
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