Abstract

Introduction: The chemical structure can be represented by a graph with the notion of vertices and edges specifying the atom and bonds, respectively.

Materials and Methods: Topological indices are the numbers which are derived from a molecular graph. A topological index is a numeric quantity of a molecular graph that is mathematically derived.

Results: In this paper, we computed a certain degree-based topological indices of threelayered single-walled titania nanosheets and nanotubes.

Conclusion: The application of topological indices is vital in quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR) studies.

Keywords: Topological indices, molecular graph, Titanium nano sheet, nanotube, structure-property, structure-activity.

Graphical Abstract