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Ground-State Structures of Hydrated Calcium Ion Clusters From Comprehensive Genetic Algorithm Search
We searched the lowest-energy structures of hydrated calcium ion clusters Ca(2+)(H(2)O)(n) (n = 10–18) in the whole potential energy surface by the comprehensive genetic algorithm (CGA). The lowest-energy structures of Ca(2+)(H(2)O)(10–12) clusters show that Ca(2+) is always surrounded by six H(2)O...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8277924/ https://www.ncbi.nlm.nih.gov/pubmed/34277560 http://dx.doi.org/10.3389/fchem.2021.637750 |