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• W2068133525 abstract "The structural and electronic properties of endohedral fullerenes formed by encapsulation of each of the group V elements inside the buckminsterfullerene cage have been investigated. The calculations reveal that all these species are thermodynamically stable, though the formation of Sb@C 60 and Bi@C 60 is slightly endothermic. The central atom preserves its electronic configuration and the quartet state. The energy gap and energy levels are perturbed by the inclusion of a foreign atom. The band gap of Sb@C 60 and Bi@C 60 is found to be significantly smaller than pristine C 60 , suggesting the reactivity of these complexes." @default.
• W2068133525 created "2016-06-24" @default.
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• W2068133525 date "2013-09-20" @default.
• W2068133525 modified "2023-09-25" @default.
• W2068133525 title "DFT STUDY OF STRUCTURAL AND ELECTRONIC PROPERTIES OF ENDOHEDRAL COMPLEXES OF GROUP V ATOMS WITH C60" @default.
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• W2068133525 doi "https://doi.org/10.1142/s021797921350152x" @default.
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