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• W1982331857 abstract "A detailed investigation on the stability and electronic properties of InnNa2 (n = 4–9) clusters is performed by density functional theory, in search for unusually stable motifs. The In6Na2 cluster is characterized by an electronic shell closure with enhanced stability, a larger gap between the highest-occupied and the lowest-unoccupied molecular orbitals, a higher ionization potential, and a lower electronic affinity as compared with adjacent clusters, suggesting that In6Na2 is a magic cluster. Furthermore, the calculated vertical ionization potentials of InnNa2 agree well with available experimental data, indicating that the obtained structures are good candidates for the ground-state geometries of InnNa2." @default.
• W1982331857 created "2016-06-24" @default.
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• W1982331857 date "2013-09-01" @default.
• W1982331857 modified "2023-10-16" @default.
• W1982331857 title "Theoretical study on the magic character of In6Na2 cluster" @default.
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• W1982331857 doi "https://doi.org/10.1016/j.cplett.2013.07.084" @default.
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