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Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional Calculations
The structural and energetic properties of small silver clusters Ag [Formula: see text] with n = 2–100 atoms are reported. For n = 2–100 the embedded atom model for the calculation of the total energy of a given structure in combination with the basin-hopping search strategy for an unbiased structur...
Autores principales: | Garg, Shivangi, Kaur, Navjot, Goel, Neetu, Molayem, Mohammad, Grigoryan, Valeri G., Springborg, Michael |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10096883/ https://www.ncbi.nlm.nih.gov/pubmed/37050029 http://dx.doi.org/10.3390/molecules28073266 |
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