重温富森链：它们有多奇特以及为何如此重要

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Mathematical Chemistry Pub Date : 2024-05-07 DOI:10.1007/s10910-024-01620-w

Tomislav Došlić

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引用次数: 0

摘要

我们通过构建此类链与三元词之间的双射，完善了与转数有关的给定长度扶桑链的枚举。然后，我们利用由此获得的明确公式计算出了基于键相加度的拓扑指数在所有给定长度的此类链上的预期值。这些结果也适用于其他几类化学上有趣的多环链，如亚苯基链和螺链。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Fusene chains revisited: how kinky they are and why it matters

We refine the enumeration of fusene chains of a given length with respect to the number of turns by constructing bijections between such chains and ternary words. Explicit formulas thus obtained are then used to compute the expected values for the whole class of bond-additive degree-based topological indices over all such chains of a given length. The results are also applicable to several other classes of chemically interesting polycyclic chains, such as, e.g., phenylene and spiro chains.

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来源期刊

Journal of Mathematical Chemistry 化学-化学综合

CiteScore

3.70

自引率

17.60%

发文量

105

审稿时长

6 months

期刊介绍： The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.