Computational Analysis of Irregularity Measures of Molecular Structure of Copper Oxide

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.