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Buckminsterfullerene has 12500 Kekulé structures grouped in 158 isomorphic classes. In this paper we reproduce the results of paper (Vukičević et al. Croatica Chemica Acta 78: 223, 2005) with some extensions. Namely, for each Kekulé structure we provide: number of structures isomorphic to it, the average number of π-electrons that belong to hexagon, the average number of π-electrons that belong to...
After an introductory brief discussion of the important and much debated concept of aromaticity, we elaborate on a recently proposed scheme for the partition of π-electrons of Kekuléan polycyclic conjugated hydrocarbons to individual rings, so that by summing π-electrons within individual rings of polycyclic conjugated hydrocarbons one obtains the total number of π-electrons in a molecule. We discuss...
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