Molecular description of copper(II) oxide

Mohammad Reza Farahani, Wei Gao, Abdul Qudair Baig, Wasaq Khalid

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.


Keywords


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

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References


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DOI: http://dx.doi.org/10.20450/mjcce.2017.1138

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