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• W2012653095 abstract "Abstract The electronic structure of X 60 molecules (XC, Si) is considered in terms of 60 odd electrons and the spin‐dependent interaction between them. The conditions for the electrons to be excluded from the covalent pairing are discussed. A computational spin‐polarized quantum‐chemical scheme is suggested to evaluate four parameters (energy of radicalization, exchange integral, atom spin density, and squared spin) to characterize the effect quantitatively. A polyradical character of the species, weak for C 60 and strong for Si 60 , is established. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004" @default.
• W2012653095 created "2016-06-24" @default.
• W2012653095 creator A5065200896 @default.
• W2012653095 date "2004-01-01" @default.
• W2012653095 modified "2023-09-23" @default.
• W2012653095 title "Odd electrons and covalent bonding in fullerenes" @default.
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• W2012653095 doi "https://doi.org/10.1002/qua.20015" @default.
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