International Journal of Chemical and Biochemical Sciences (ISSN 2226-9614)[/vc_column_text][/vc_column][/vc_row]

VOLUME 25(19) (2024)

Computational Analysis of Irregularity Measures of Molecular Structure of Copper Oxide

Asfand Yar Khan¹, Muhammad Haroon Aftab^1*, Ali Haidar¹

¹Department of Mathematics and Statistics, The University of Lahore, Lahore 54500, Pakistan

Abstract

                The crystallographic structure of copper [I] oxide is an irregular graph, so degree of vertex of some vertices is different. Irregularity indices of copper [I] oxide play an important role to understand the significance and properties of structure of copper [I] oxide and gain attention of researchers. In this study, we are interested to deal with irregularity indices for copper [I] oxide. This study explores the application of irregularity indices derived from graph theory to analyze the crystal structure of copper [I] oxide Cu₂O [m; n]. We also construct table for edge partition of Cu₂O [m; n]. This study is not only advancing our understanding of the crystallographic irregularities in Cu₂O [m; n] but also demonstrates the utility of graph-based irregularity indices in the study of Cu₂O [m; n]. From this work, we analyzed the relationship between irregularity indices and physicochemical properties like boiling point, enthalpy of copper [I] oxide. The outcomes of this investigation have broader implications for the field of chemical graph, providing a foundation for future research on quantitative structure property relationships. In this work, crystallographic structure of Cu₂O [m; n], irregularity measures (IMs), computation of edge partition of Cu₂O [m; n], computation of irregularity indices for Cu₂O [m; n], computation of physicochemical properties such as boiling point, enthalpy, molar volume and molar mass of copper [I] oxide have been discussed.

Keywords: Topological indices; Irregularity indices; copper oxide; vertex; edge.

Full length article – PDF   *Corresponding Author, e-mail: haroonuet@gmail.com                Doi # https://doi.org/10.62877/124-IJCBS-24-25-19-124