Computational analysis of benzenoid systems using valency-based entropy metrics and topological indices

Abstract

Nanomaterials find application in electronics, drugs, and biology among other disciplines. Benzenoid systems with their homogeneous structures are especially fit for computer study because of their predictable geometries. This work investigates computational analysis of benzenoid systems using valency-based entropy measurements and degree-based topological indices. Knowing these indices helps one to anticipate the reactivity and stability of related compounds. The main focus of the work is on the thermodynamic parameter entropy, which reveals how one can modify the benzenoid hydrocarbon structures to improve their thermodynamic characteristics. In this work, topological indices combined with entropy measurements facilitates prediction and enhancement of benzenoid system physicochemical features. This helps one to grasp their possible applications in nanotechnology and medicine.