# A Novel/Old Modification of the First Zagreb Index

## TL;DR

This paper introduces and characterizes the extremal properties of a new graph invariant, the modified first Zagreb connection index, among chemical trees, extending the understanding of molecular energy relationships.

## Contribution

It defines the modified first Zagreb connection index and characterizes its extremal values in chemical trees, providing new insights into molecular graph invariants.

## Key findings

- Identified extremal chemical trees for the new index
- Extended the relationship between graph invariants and molecular energy
- Provided a mathematical characterization of the index's bounds

## Abstract

In the paper [I. Gutman, N. Trinajsti\'c, Chem. Phys. Lett. 17 (1972), 535], it was shown that total $\pi$-electron energy ($E$) of a molecule $M$ depends on the quantity $\sum_{v\in V(G)}d_{v}^{2}$ (nowadays known as the "first Zagreb index"), where $G$ is the graph corresponding to $M$, $V(G)$ is the vertex set of $G$ and $d_{v}$ is degree of the vertex $v$. In the same paper, the graph invariant $\sum_{v\in V(G)}d_{v}\tau_{v}$ (where $\tau_{v}$ is the connection number of $v$, that is the number of vertices at distance 2 from $v$) was also proved to influence $E$, but this invariant was never restudied explicitly. We call it "modified first Zagreb connection index" and denote it by $ZC_{1}^{*}$. In this paper, we characterize the extremal elements with respect to the graph invariant $ZC_{1}^{*}$ among the collection of all $n$-vertex chemical trees.