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Double hexagonal chains with minimal total π-electron energy

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The total energy of all π-electrons in a conjugated hydrocarbon (within the framework of HMO approximation) is the sum of the absolute value of all the eigenvalues of its corresponding graph. In this paper, we consider “double hexagonal chains” as benzenoids constructed by successive fusions of successive naphthalenes along a zig–zag sequence of triples of edges as appear on opposite sides of each naphthalene unit. It is shown that if the fusions are such as to give a polyaceacene then the total π-electron energy is the minimum from among all the double hexagonal chains with the same number of naphthalene units.

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Authors and Affiliations

  1. Department of Mathematics, Qinghai Normal University, Xining, Qinghai, 810008, P.R. China

    Haizhen Ren

  2. School of Mathematical Sciences, Xiamen University, Xiamen, Fujian, 361005, P.R. China

    Fuji Zhang

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  1. Haizhen Ren
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  2. Fuji Zhang
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Correspondence to Haizhen Ren.

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Ren, H., Zhang, F. Double hexagonal chains with minimal total π-electron energy. J Math Chem 42, 1041–1056 (2007). https://doi.org/10.1007/s10910-006-9159-9

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  • DOI: https://doi.org/10.1007/s10910-006-9159-9

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