Molecular description of copper(II) oxide

Authors

  • Mohammad Reza Farahani Department of Applied Mathematics, Iran University of Science and Technology, Narmak, Tehran
  • Wei Gao School of Information Science and Technology, Yunnan Normal University, Kunming 650500, China
  • Abdul Qudair Baig Department of Mathematics, COMSATS Institute of Information Technology, Attock Campus, Pakistan
  • Wasaq Khalid Department of Mathematics, COMSATS Institute of Information Technology, Attock Campus, Pakistan

DOI:

https://doi.org/10.20450/mjcce.2017.1138

Keywords:

Molecular descriptor, Copper Oxide, Atom bond connectivity index, Geometric arithmetic index, General Randic index, Zagreb Index

Abstract

Graph theory has much advancement in the field of mathematical chemistry. Recently, chemical graph theory has become very popular among researchers because of its wide applications in mathematical chemistry. The molecular topological descriptors are the numerical invariants of a molecular graph and are very useful for predicting their bioactivity. A great variety of such indices are studied and used in theoretical chemistry, pharmaceutical researchers, in drugs and in different other fields.

In this article, we study the chemical graph of copper oxide and compute degree based topological indices mainly ABC, GA, ABC4, GA5, general Randić index and Zagreb index for copper(II) oxide, CuO. Furthermore, we give exact formulas of these indices which are helpful in studying the underlying topologies.

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Published

2017-06-21

How to Cite

Farahani, M. R., Gao, W., Baig, A. Q., & Khalid, W. (2017). Molecular description of copper(II) oxide. Macedonian Journal of Chemistry and Chemical Engineering, 36(1), 93–99. https://doi.org/10.20450/mjcce.2017.1138

Issue

Vol. 36 No. 1 (2017)

Section

Theoretical Chemistry

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