A Novel/Old Modification of the First Zagreb Index

preprint2017arXivOpen access

Abstract

In the paper [I. Gutman, N. Trinajstić, Chem. Phys. Lett. 17 (1972), 535], it was shown that total ππ-electron energy (EE) of a molecule MM depends on the quantity ∑v∈V(G)dv2\sum_{v\in V(G)}d_{v}^{2} (nowadays known as the "first Zagreb index"), where GG is the graph corresponding to MM, V(G)V(G) is the vertex set of GG and dvd_{v} is degree of the vertex vv. In the same paper, the graph invariant ∑v∈V(G)dvτv\sum_{v\in V(G)}d_{v}τ_{v} (where τvτ_{v} is the connection number of vv, that is the number of vertices at distance 2 from vv) was also proved to influence EE, but this invariant was never restudied explicitly. We call it "modified first Zagreb connection index" and denote it by ZC1∗ZC_{1}^{*}. In this paper, we characterize the extremal elements with respect to the graph invariant ZC1∗ZC_{1}^{*} among the collection of all nn-vertex chemical trees.

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