Bond Additive Molecular Descriptors of Cove Edged Graphene Nanoribbon

Abstract

In computational and theoretical chemistry, numbers that map some structural appearance of chemical molecules and derivatives from the graph isomorphic to the molecular structure are commonly called topological indices. Topological indices are numerical quantities that are derived through mathematical equations from a molecular graph. Topological indices are used in the study of QSAR and QSPR to predict the bioactivity of the structure. In this article, we calculate some bond additive molecular descriptors of cove-edged graphene nanoribbons.