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AbstractAbstract
[en] The results of atomic-structure optimization and calculation of the electronic structure of the Si20, Si20-, NaSi20, and KSi20 clusters are reported. The PM3 and AM1 semiempirical methods were used in the calculations. It is shown that the Na and K atoms stabilize the fullerene-like silicon structure. The effect of configuration of the clusters on their electronic structure is analyzed
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Copyright (c) 2006 Nauka/Interperiodica; Article Copyright (c) 2006 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
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