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Correlations of Equilibrium Properties and Electronic Structure of Pure Metals

First principles calculations were carried out to study the equilibrium properties of metals, including the electrons at bonding critical point; e(bcp); cohesive energy; E(coh); bulk modulus; B; and, atomic volume; V. 44 pure metals, including the s valence (alkali), p valence (groups III to V), and...

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Detalles Bibliográficos
Autores principales: Dai, Jianhong, He, Dongye, Song, Yan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6766288/
https://www.ncbi.nlm.nih.gov/pubmed/31514286
http://dx.doi.org/10.3390/ma12182932