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The Studies on Structure and Stability of CaB(n) Clusters

Calcium-boron systems have excellent properties of hardness, strength, and chemical stability, and we studied a series of CaB(n) clusters to investigate their structures and relative stability. The results showed the most stable structures of CaB(n) clusters are not planar. The B atoms tend to get t...

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Detalles Bibliográficos
Autores principales: Han, Peilin, Chai, Fengli, Qiao, Bolin, Liu, Chunhui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6470579/
https://www.ncbi.nlm.nih.gov/pubmed/30871251
http://dx.doi.org/10.3390/molecules24061011