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- W2950990050 abstract "Abstract MNDO calculations have been carried out for three C 60 isomers, buckminsterfullerene ( I h ), graphitene ( D 6h ), and a planar ring ( D 60h ). Buckminsterfullerene is 880.2 kcal mol −1 more stable than the ring structure while graphitene is 648.7 kcal mol −1 more stable (1 kcal mol −1 = 4.184 kJ mol −1 ). Optimized geometric parameters and orbital energies are also reported. A novel mechanism for formation of the I h structure is presented which involves a minimum of rearrangement." @default.
- W2950990050 created "2019-06-27" @default.
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- W2950990050 date "1988-01-19" @default.
- W2950990050 modified "2023-09-26" @default.
- W2950990050 title "ChemInform Abstract: Calculated Properties of C60 Isomers and Fragments" @default.
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- W2950990050 doi "https://doi.org/10.1002/chin.198803064" @default.
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