chapter  14

Topological Descriptors of Carbon Nanostructures

WithSakander Hayat

A broad spectrum of physico-chemical characteristics, specifically the characterization and modelling of molecular structures, has found graph theory especially degree- and distance-based numerical graph invariants, significantly useful. The fact that the underlying activities and properties of molecules are closely related to their connectivities in its chemical graph/network, originates the graph-theoretic applications in chemistry and drug research. The study of topological connectivity and characterization of a chemical structure find a deep concern with graph theory. The exploration of relationships between graph-theoretic topological indices and physico-chemical properties of underlying chemical structures has been a focus of research over the years [14].