On Analysis of cubic zirconia network through eccentricity operators

An important branch of computational chemistry is chemical graph theory which allows analyzing and transforming the structures of chemical compounds using the principles of graph theory and mathematics. Topological indices (TIs) are supposed to be numbers containing essential data regarding the molecular topology of a particular molecular graph. For the cubic zirconia network (ZrO2), we computed the eccentric connectivity indices, the augmented eccentric connectivity index, and the Ediz eccentric connectivity index in this study. The results show clear tendencies and dependencies of the network topology as the number of constituent atoms is growing. These results are novel findings on the relationship between the constructing elementary factors and the material responsive behavior which helped in enhancing the knowledge of the cubic zirconia network. Others may also help out in further studies and development of such materials in future research and engineering.