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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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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 |