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Published on: December 7, 2015
Topological analysis of carbon and boron nitride nanotubes
Awais Yousaf1, Hanan Alolaiyan2, Muhammad Nadeem3
1Department of Mathematics, The Islamia University of Bahawalpur, Bahawalpur, 63100, Pakistan. awais.yousaf@iub.edu.pk.
Abstract:
Graph theoretical concepts are broadly used in several fields to examine and model various applications. In computational chemistry, the characteristics of a molecular compound can be assessed with the help of a numerical value, known as a topological index. Topological indices are extensively used to study the molecular mechanics in QSAR and QSPR modeling. In this study, we have developed the closed formulae to estimate ABC, ABC4, GA, and GA5 topological indices for the graphical structures of boron nitride and carbon nanotube.
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