Effect of a Ring onto Values of Eigenvalue-Based Molecular Descriptors

被引:5
|
作者
Redzepovic, Izudin [1 ]
Radenkovic, Slavko [1 ]
Furtula, Boris [1 ]
机构
[1] Univ Kragujevac, Dept Chem, Fac Sci, Kragujevac 34000, Serbia
来源
SYMMETRY-BASEL | 2021年 / 13卷 / 08期
关键词
molecular descriptor; graph energy; Estrada index; resolvent energy; effect of a ring; RESOLVENT ENERGY; TOPOLOGICAL INDEXES; HYDROCARBONS; STABILITY; ESTRADA; CYCLES; GRAPH;
D O I
10.3390/sym13081515
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
The eigenvalues of the characteristic polynomial of a graph are sensitive to its symmetry-related characteristics. Within this study, we have examined three eigenvalue-based molecular descriptors. These topological molecular descriptors, among others, are gathering information on the symmetry of a molecular graph. Furthermore, they are being ordinarily employed for predicting physico-chemical properties and/or biological activities of molecules. It has been shown that these indices describe well molecular features that are depending on fine structural details. Therefore, revealing the impact of structural details on the values of the eigenvalue-based topological indices should give a hunch how physico-chemical properties depend on them as well. Here, an effect of a ring in a molecule on the values of the graph energy, Estrada index and the resolvent energy of a graph is examined.
引用
收藏
页数:11
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