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• W2035785897 abstract "In view of recent great interest in the electronic properties of metallofullerenes, ScC82, YC82, and LaC82 are investigated and compared by means of the molecular orbital calculations at the same level. Unlike the current interpretation based on the observed EPR date, it is suggested that the Sc (3d14s2) atom donates only its two 4s valence electrons to C82, leaving behind its 3d electron: the electronic state is formally described as Sc2+C2−82. This trend is also suggested for YC82. On the other hand, the electronic state of LaC82 is describable as La3+C3−82. Also discussed are the possible structural aspects." @default.
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• W2035785897 date "1993-10-01" @default.
• W2035785897 modified "2023-09-23" @default.
• W2035785897 title "Metallofullerenes MC82 (M = Sc, Y, and La). A theoretical study of the electronic and structural aspects" @default.
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• W2035785897 doi "https://doi.org/10.1016/0009-2614(93)85455-w" @default.
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