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• W2029099265 endingPage "186" @default.
• W2029099265 startingPage "181" @default.
• W2029099265 abstract "Using a molecular orbital method based on the non-local density functional formalism, we have calculated the binding energies and HOMO—LUMO gaps of carbon fullerenes Cn assuming that all bond lengths in each fullerene are the same. The results are as follows: (1) The fullerenes containing quadrilateral rings are less stable than those with only pentagonal and hexagonal rings. (2) With a larger number of hexagonal rings in a fullerene, the binding energy is larger. (3) C60, C70, C100, C90 and C32 have especially large HOMO—LUMO gaps and are expected to be less reactive." @default.
• W2029099265 created "2016-06-24" @default.
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• W2029099265 date "1992-01-01" @default.
• W2029099265 modified "2023-09-23" @default.
• W2029099265 title "Non-local density functional calculations of binding energies of carbon fullerenes Cn, with n = 10, 12, 16, 20, 24, 28, 32, 36, 50, 60, 70, 80, 90, 100, 110 and 120" @default.
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• W2029099265 doi "https://doi.org/10.1016/0009-2614(92)90006-9" @default.
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