Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes

Source abstract

Abstract A numeric quantity that characterizes the whole structure of a network is called a topological index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the physical features related to the bioactivities and chemical reactivity in certain networks. Materials for 2D nanotubes have extraordinary chemical, mechanical, and physical capabilities. They are extremely thin nanomaterials with excellent chemical functionality and anisotropy. Since, 2D materials have the largest surface area and are the thinnest of all known materials, they are ideal for all applications that call for intense surface interactions on a small scale. In this paper, we derived closed formulae for some important neighborhood based irregular topological indices of the 2D nanotubes. Based on the obtained numerical values, a comparative analysis of these computed indices is also performed.