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Probing the properties of size dependence and correlation for tantalum clusters: geometry, stability, vibrational spectra, magnetism, and electronic structure
A comprehensive investigation on the equilibrium geometry, relative stability, vibrational spectra, and magnetic and electronic properties of neutral tantalum clusters (Ta(n), n = 2–17) was performed using density functional theory (DFT). We perform a study of the size dependence and correlations am...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9059546/ https://www.ncbi.nlm.nih.gov/pubmed/35517637 http://dx.doi.org/10.1039/c8ra09240k |