论第一逆尼玛拉指数的性质

IF 1.7 3区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Journal of Mathematical Chemistry Pub Date : 2024-07-29 DOI:10.1007/s10910-024-01665-x

Boris Furtula, Mert Sinan Oz

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引用次数: 0

摘要

第一个逆 Nirmala 指数是 2021 年推出的基于度数的新型拓扑描述符。初步的 QSPR 研究表明，该指数具有非同寻常的预测潜力，值得进一步考虑。本文研究了该指数与一些基本图量和一些相关的基于度的拓扑指数之间的关系。此外，计算分析将揭示树、分子树、所有连通图及其分子对应图之间的极值图。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

On properties of the first inverse Nirmala index

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On properties of the first inverse Nirmala index

The first inverse Nirmala index is a novel degree-based topological descriptor that was introduced in 2021. Preliminary QSPR investigations suggest that this index deserves further consideration because of its unusually good predictive potential. This paper investigates the relations between this index with some elementary graph quantities and some related degree-based topological index. Further, the computational analysis will reveal extremal graphs among trees, molecular trees, all connected graphs, and their molecular counterparts.

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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.