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Issue 24, 1998
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Stability of all molecular ions conceivable for C60 and C70

Abstract

Topological resonance energies (TREs) and bond resonance energies (BREs) were calculated for all conceivable molecular ions of C60 (Ih) and C70 (D5h). On this basis these fullerenes were predicted to be thermodynamically and kinetically stable only when they carry total charges of 0 down to -12. This prediction is fully consistent with the chemistry of C60 and C70. Thus, the variation of the total charge markedly affects the stability of fullerenes.

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Article type: Paper
DOI: 10.1039/A806594B
Citation: J. Chem. Soc., Faraday Trans., 1998,94, 3537-3540
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    Stability of all molecular ions conceivable for C60 and C70

    J. Aihara, J. Chem. Soc., Faraday Trans., 1998, 94, 3537
    DOI: 10.1039/A806594B

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