The minimal chemical tree for the difference between geometric–arithmetic and Randić indices

Abstract

Topological indices are numerical parameters derived from the structural information of chemical compounds. By providing a quantitative description of molecular structures, topological indices enable researchers to predict various properties and behaviors of molecules. The Randić index () and the geometric–arithmetic index () are widely recognized topological indices. It is observed that, for any given graph . We aim to investigate the gap between and for chemical tree. The complete characterization of minimal chemical tree for is carried out here. This article offers an interesting finding that, whereas and provide same minimal chemical trees, yields minimal tree structures that are totally different from and . Moreover is observed to correlate well with physico‐chemical properties of octanes.