Study on the Electronic Structure and Stability of Some Endohedral Fullerenes - RE3N@C80 (RE = Sc, Y, La) by PM7
classification
⚛️ physics.chem-ph
keywords
electronicendohedralfullerenessomestabilitystructurebenzyne-adductscontaining
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In this paper, we investigated the electronic structure of some endohedral fullerenes containing rare earth nitride and the stability of their benzyne-adducts by PM7, the semiempirical Hatree-Fock method.
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