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Calculations of the C2 fragmentation energies of higher fullerenes C80 and C82

Author(s): Grygoriy A Dolgonos

The C2 fragmentation energies of the most stable isolated-pentagon-rule (IPR) isomers of the C80 and C82 fullerenes were evaluated with second-order Møller-Plesset (MP2) theory, density-functional theory (DFT) and the semiempirical self-consistent charge de...

Article GUID: 17588181