International Journal of Quantum Chemistry
International Journal of Quantum Chemistry
4 years ago

On the difference between atom-bond connectivity index and Randić index of binary and chemical trees

On the difference between atom-bond connectivity index and Randić index of binary and chemical trees
Zhibin Du, Akbar Ali
This article is devoted to establishing some extremal results with respect to the difference of two well-known bond incident degree indices [atom-bond connectivity (ABC) index and Randić (R) index] for the chemical graphs representing alkanes. More precisely, the first three extremal trees with respect to ABC – R are characterized among all n-vertex binary trees (the trees with maximum degree at most 3). The n-vertex chemical trees (the trees with maximum degree at most 4) having the first three maximum ABC – R values are also determined. The atom-bond connectivity (ABC) and Randić (R) indexes are two well-known molecular structure descriptors, which are used to predict physicochemical properties of chemical compounds. Alkanes with the three maximum ABC – R values are determined from two classes of alkanes, characterized by having the same number of atoms. In one of the aforementioned classes, alkanes with the first three lowest ABC – R values are also identified.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/qua.25446

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