On ABS Estrada index of trees

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-07-17 DOI:10.1007/s12190-024-02188-z
Zhen Lin, Ting Zhou, Yingke Liu
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Abstract

Let G be a graph with n vertices, and \({d_{i}}\) be the degree of its i-th vertex. The ABS matrix of G is the square matrix of order n whose (ij)-entry is equal to \({\sqrt{({d_{i}+d_{j}-2})/({d_{i}+d_{j}})}}\) if the i-th vertex and the j-th vertex of G are adjacent, and 0 otherwise. Let \(\rho _1\ge \rho _2\ge \cdots \ge \rho _{n}\) be the eigenvalues of the ABS matrix of G. Then the ABS Estrada index of G, denoted by \(E_{ABS}(G)\), is defined as \(E_{ABS}(G)=\sum _{i=1}^{n}e^{\rho _i}\). In this paper, the chemical importance of the ABS Estrada index is investigated and it is shown that the predictive ability of ABS Estrada index is stronger than other connectivity Estrada indices (including Randić Estrada index, harmonic Estrada index and ABC Estrada index) and ABS index for octane isomers. Since chemical graphs of octane isomers are trees, we study the extremal problem of ABS Estrada index of trees, and prove that for any tree \(T_n\) with \(n\ge 3\) vertices,

$$\begin{aligned} E_{ABS}(P_n)\le E_{ABS}(T_n)\le E_{ABS}(K_{1,n-1}) \end{aligned}$$

with equality in the left (resp., right) inequality if and only if \(T_n\) is isomorphic to the path \(P_n\) (resp., the star \(K_{1,n-1}\)).

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论树木的 ABS 埃斯特拉达指数
假设 G 是一个有 n 个顶点的图,\({d_{i}}\) 是第 i 个顶点的度数。如果 G 的第 i 个顶点和第 j 个顶点相邻,则 G 的 ABS 矩阵为 n 阶方阵,其 (i, j) 项等于 \({/sqrt{({d_{i}+d_{j}-2})/({d_{i}+d_{j}})}}/),否则为 0。设 \(\rho _1\ge \rho _2\ge \cdots \ge \rho _{n}/)是 G 的 ABS 矩阵的特征值,那么 G 的 ABS 埃斯特拉达指数,用 \(E_{ABS}(G)\) 表示,定义为 \(E_{ABS}(G)=\sum _{i=1}^{n}e^{rho _i}/)。本文研究了 ABS 埃斯特拉达指数在化学上的重要性,结果表明 ABS 埃斯特拉达指数对辛烷异构体的预测能力强于其他连通性埃斯特拉达指数(包括 Randić 埃斯特拉达指数、谐波埃斯特拉达指数和 ABC 埃斯特拉达指数)和 ABS 指数。由于辛烷异构体的化学图是树状的,我们研究了树的 ABS 埃斯特拉达指数的极值问题,并证明了对于任何具有 \(n\ge 3\) 个顶点的树\(T_n\),$$\begin{aligned}(P_{ABS}(P_{ABS}))的 ABS 埃斯特拉达指数为 $$$。E_{ABS}(P_n)\le E_{ABS}(T_n)\le E_{ABS}(K_{1,n-1}) \end{aligned}$$当且仅当\(T_n\)与路径\(P_n\)(即星形\(K_{1,n-1}\))同构时,左(或右)不等式相等。
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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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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