平面二部图的Clar覆盖多项式
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华东交通大学

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国家自然科学基金资助项目(11861032,11961026) ;江西省自然科学基金(20202BABL201010)


The Clar covering polynomials of plane bipartite graph
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The National Natural Science Foundation of China (Grant Nos. 11861032, 11961026) and the Natural Science Foundation of Jiangxi Province (Grant No. 20202BABL201010)

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    摘要:

    【目的】分子图的Clar覆盖多项式是表征共轭体系电子结构的一种方法。通过研究平面二部图的Clar覆盖多项式,可以很好地研究相关分子图的共振理论及其相关性质。【方法】基于平面二部图Clar覆盖多项式的相关定理,利用生成函数的方法计算平面二部图的Clar覆盖多项式。【结果】推导出一类特殊图的Clar覆盖多项式的递推关系。进而利用生成函数的方法计算两类Cata型平面二部图Clar覆盖多项式的显式表达式。【结论】根据平面二部图的Clar覆盖多项式,可以了解化学分子的电子结构,预测其化学性质和反应行为,并设计新的分子结构。

    Abstract:

    【Objective】The Clar covering polynomial of molecular graphs is a method to characterize the electronic structure of conjugated systems. By studying the Clar covering polynomials of plane bipartite graphs, the resonance theory of related molecular graphs and their related properties can be well studied.【Methods】Based on the theorem related to Clar covering polynomials of plane bipartite graphs, the method of generating functions is utilized to compute Clar covering polynomials of plane bipartite graphs.【Results】Recurrence relations for Clar covering polynomials of a special class of graphs are derived. In turn, explicit expressions for the Clar covering polynomials of two classes of catacondensed plane bipartite graphs are computed using the generating function method.【Conclusion】On the Clar covering polynomials of plane bipartite graphs, it is possible to understand the electronic structure of chemical molecules, predict their chemical properties and reaction behavior, and design new molecular structures.

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  • 收稿日期:2024-03-04
  • 最后修改日期:2024-04-19
  • 录用日期:2024-04-23
  • 在线发布日期: 2024-06-14
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