类sombor索引图不变量的极值树

IF 2.9 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Match-Communications in Mathematical and in Computer Chemistry Pub Date : 2023-01-01 DOI:10.46793/match.90-1.203t

Zikai Tang, Qiyue Li, H. Deng

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引用次数: 2

摘要

Gutman引入了新的图不变量几何背景，利用由角度点、双角度点和坐标系原点构成的三角形，得到了一系列新的Sombor-index-like VDB不变量，表示为SO1,SO2，…， SO6，都是通过几何参数构造的。本文研究了这些类sombor指数图不变量的化学适用性，结果表明，与一些已建立和常用的指数相比，这六种指数几乎都能高精度地预测物化性质。此外，我们还得到了所有具有固定顶点数的(分子)树中一些Sombor-index-like图不变量的界，并对那些达到极值的(分子)树进行了刻画。

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Trees with Extremal Values of the Sombor-Index-Like Graph Invariants

Anew geometric background of graph invariants was introduced by Gutman, using the triangle formed by the degree-point, dualdegree-point, and the origin of the coordinate system, a number of new Sombor-index-like VDB invariants, denoted by SO1,SO2,..., SO6, were constructed by means of geometric arguments. In this paper, the chemical applicability of these Sombor-index-like graph invariants is investigated, and it is shown that almost all of these six indices are useful in predicting physicochemical properties with high accuracy compared to some well-established and often used indices. Also, we obtain a bound for some of the Sombor-index-like graph invariants among all (molecular) trees with fixed numbers of vertices, and characterize those (molecular) trees achieving the extremal value.

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来源期刊

Match-Communications in Mathematical and in Computer Chemistry 化学-化学综合

CiteScore

4.40

自引率

26.90%

发文量

审稿时长

2 months

期刊介绍： MATCH Communications in Mathematical and in Computer Chemistry publishes papers of original research as well as reviews on chemically important mathematical results and non-routine applications of mathematical techniques to chemical problems. A paper acceptable for publication must contain non-trivial mathematics or communicate non-routine computer-based procedures AND have a clear connection to chemistry. Papers are published without any processing or publication charge.