Abstract
The enumeration of Kekulé structures for rectangle-shaped benzenoids is treated. Combinatorial formulas for K (the Kekulé structure count) are derived by several methods. The oblate rectangles, Rj(m, n), with fixed values of m are treated most extensively and used to exemplify different procedures based on the method of fragmentation (chopping, summation), a fully computerized method (fitting of polynominal coefficients), application of the John-Sachs theorem, and the transfer-matrix method. For Rj(m, n) with fixed values of n the relevant recurrence relations are accounted for, and general explicit combinatorial K formulas are reported. Finally a class of multiple coronoids, the “perforated” oblate rectangles, is considered in order to exemplify a “perfectly explicit” combinatorial K formula, an expression for arbitraty values of the parameters m and n.
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© 1990 Springer-Verlag
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Rongsi, C., Cyvin, S.J., Cyvin, B.N., Brunvoll, J., Klein, D.J. (1990). Methods of enumerating Kekulé structures, exemplified by applications to rectangle-shaped benzenoids. In: Gutman, I., Cyvin, S.J. (eds) Advances in the Theory of Benzenoid Hydrocarbons. Topics in Current Chemistry, vol 153. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-51505-4_26
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DOI: https://doi.org/10.1007/3-540-51505-4_26
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