How to Stabilize a Heptagon-Containing C80 Cage by Endohedral Derivation.
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DOI: 10.1021/acs.inorgchem.0c00394
Abstract: Nonclassical fullerene is a new member of the fullerene family. In the present work, a systematic investigation on LaxSc3-xN@C80 (x = 0-3) covering both classical and nonclassical C80 cages was performed utilizing density functional theory… read more here.
Keywords: heptagon containing; hept c80; c80; la2scn ... See more keywords