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Novel results on entropy-based measures of fullerenes
Fullerenes, Nanotubes and Carbon Nanostructures ( IF 2.3 ) Pub Date : 2020-09-14 , DOI: 10.1080/1536383x.2020.1816973
M. Ghorbani 1 , M. Rajabi-Parsa 1 , R. Majidi 2 , R. Abdullah Mirzaie 3
Affiliation  

Abstract 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.

中文翻译:

基于熵的富勒烯测量的新结果

摘要 富勒烯是由碳原子构成的立方多面体分子。它们在化学和数学文献中引起了很多关注。在本文中,我们将轨道熵和细谷熵与某些富勒烯的总能量进行比较,以确定这些度量之间的相关性。此外,我们研究了基于特征值的熵与 400 多个富勒烯的总能量之间的相关性。我们的研究结果表明,具有不同对称群的选定富勒烯的相邻能量、特征值熵、总能量、轨道熵和 Hosoya 熵之间的相关性大约等于 1。
更新日期:2020-09-14
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