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...

Descripción completa

Detalles Bibliográficos
Autores principales: Shi, Ruili, Zhao, Zhi, Huang, Xiaoming, Wang, Pengju, Su, Yan, Sai, Linwei, Liang, Xiaoqing, Han, Haiyan, Zhao, Jijun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Chemistry
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

Internet

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

Ejemplares similares