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Molecular modeling of fullerenes with hexastrips

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References and Notes

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  13. Hexastrip weavable isomers are what Schmalz and Klein call Clar Sextet isomers, having in common a special sort of Kekulé structure possessed by no other fullerenes. In this structure every pentagon has five exo double bonds and every double bond is seen to take part in two conjugated 6-circuits, what represents the maximum possible stabilizing contribution from a Kekulé structure. Schmalz and Klein show that such Kekulé structures are only possible for buckminsterfullerene and fullerenes having 60 + 6m atoms for m>1. See Schmalz, T.G.; Klein, D.J. InBuckminsterfullerenes, Billups, W.E.; Ciufolini, M.A., Eds. VCH: New York, 1993, pp 83–101. The leapfrog fullerenes belong to the Clar Sextet isomers. Cf. Fowler, P.W.; Manolopoulos, D.E.; Ryan, R.P. InThe Fullerenes, Kroto, H; Fischer, J.; Cox, D., Eds. Pergamon Press: Oxford, 1993, pp 102–103

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Correspondence to Paulus Gerdes.

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Reprinted with permission fromThe Chemical Intelligencer Vol. 4 (1).

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Gerdes, P. Molecular modeling of fullerenes with hexastrips. Math Intelligencer 21, 6–12 (1999). https://doi.org/10.1007/BF03024824

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