Novel results on entropy-based measures of fullerenes

被引：2
|
作者：
Ghorbani, M. [1 ]
Rajabi-Parsa, M. [1 ]
Majidi, R. [2 ]
Mirzaie, R. Abdullah [3 ]
机构：
[1] Shahid Rajaee Teacher Training Univ, Dept Math, Tehran, Iran
[2] Shahid Rajaee Teacher Training Univ, Dept Phys, Tehran, Iran
[3] Shahid Rajaee Teacher Training Univ, Dept Chem, Tehran, Iran
来源：
FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES | 2021年 / 29卷 / 02期
关键词：
Eigenvalues of graph; graph energy; Hosoya-entropy; orbit-entropy; total energy; INFINITE FAMILY; SADHANA POLYNOMIALS; VERTEX PI; TOPOLOGICAL INDEXES; OMEGA POLYNOMIALS; COMPUTING OMEGA; HOSOYA ENTROPY; GRAPHS; CONNECTIVITY; EIGENVALUE;
D O I：
10.1080/1536383X.2020.1816973
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Fullerenes are cubic polyhedral molecules made of carbon atoms. They have attracted much attention in the chemical and the mathematical literature. In the present paper, we compare the orbit and Hosoya entropies with the total energy of some classes of fullerenes to determine a correlation between these measures. Besides, we investigate the correlation between eigenvalues-based entropy and the total-energy of more than 400 fullerenes. Our findings reveal that the correlation between the adjacency energy, the eigenvalue-entropy, the total energy, the orbit-entropy, and the Hosoya-entropy of selected fullerenes with distinct symmetry groups is approximately equal to one.
引用
收藏
页码：114 / 125
页数：12
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