Abstract

Chemical compounds are often modeled as polygonal shapes, where a vertex represents an atom and an edge symbolizes a bond. Topological properties of molecular graphs of chemical compounds can be correlated to their chemical properties and biological activities. Topological indices are the oldest and the most widely used to describing these activity relationships. Many topological indices can be expressed in terms of the distance concept in graphs. In this paper we explain a method, using the concept of distance in the graphs of zigzag polyhex nanotubes, which enables us to compute different topological indices simultaneously.

Keywords: Topological index, wiener index, hosoya polynomial, distance, nanotube