Abstract
Topological indices are well known for their importance in determining the characteristics of chemical compounds. On the other side, benzenoid hydrocarbons are essential to the food and chemical industries and our environment. In this paper, the second leap hyper-Zagreb coindex and ψ2-polynomial for certain classes of benzenoid structures such as zigzag benzenoid Zp, rhombic benzenoid Rp, multiple segment linear hexagon chains L[p,q], and hammer-like benzenoid Hp have been computed. Furthermore, numerical comparisons between the second leap hyper-Zagreb index and its coindex have been performed using Matlab. Also, correlation between the second leap hyper-Zagreb index and its coindex with physico-chemical properties of some polycyclic aromatic hydrocarbons have been predicted.
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