Browsing by Author "Sultan, Faisal"

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Computation of Zagreb Polynomial and Indices for Silicate Network and Silicate Chain Network
(Wiley, 2023) Ghani, Muhammad Usman; Inc, Mustafa; Sultan, Faisal; Cancan, Murat; Houwe, Alphonse
The connection of Zagreb polynomials and Zagreb indices to chemical graph theory is a bifurcation of mathematical chemistry, which has had a crucial influence on the development of chemical sciences. Nowadays, the study of topological indices has become a vast effective research area in chemical graph theory. In this article, we add up eight different Zagreb polynomials for the Silicate Network and Silicate Chain Network. From these Zagreb polynomials, we catch up on degree-based Zagreb indices. We also provide a graphical representation of the outcome that describes the dependence of topological indices on the given parameters of polynomial structure.
Connecting Sio4 in Silicate and Silicate Chain Networks To Compute Kulli Temperature Indices
(Mdpi, 2022) Zhang, Ying-Fang; Ghani, Muhammad Usman; Sultan, Faisal; Inc, Mustafa; Cancan, Murat
A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity temperature index, the product connectivity temperature index, the reciprocal product connectivity temperature index and the F temperature index of a molecular graph silicate network and silicate chain network. Furthermore, a QSPR study of the key topological indices is provided, and it is demonstrated that these topological indices are substantially linked with the physicochemical features of COVID-19 medicines. This theoretical method to find the temperature indices may help chemists and others in the pharmaceutical industry forecast the properties of silicate networks and silicate chain networks before trying.
A Paradigmatic Approach To Find the Valency-Based K-Banhatti and Redefined Zagreb Entropy for Niobium Oxide and a Metal-Organic Framework
(Mdpi, 2022) Ghani, Muhammad Usman; Sultan, Faisal; El Din, El Sayed M. Tag; Khan, Abdul Rauf; Liu, Jia-Bao; Cancan, Murat
Entropy is a thermodynamic function in chemistry that reflects the randomness and disorder of molecules in a particular system or process based on the number of alternative configurations accessible to them. Distance-based entropy is used to solve a variety of difficulties in biology, chemical graph theory, organic and inorganic chemistry, and other fields. In this article, the characterization of the crystal structure of niobium oxide and a metal-organic framework is investigated. We also use the information function to compute entropies by building these structures with degree-based indices including the K-Banhatti indices, the first redefined Zagreb index, the second redefined Zagreb index, the third redefined Zagreb index, and the atom-bond sum connectivity index.
Some Novel Results Involving Prototypical Computation of Zagreb Polynomials and Indices for Sio4 Embedded in a Chain of Silicates
(Mdpi, 2023) El Din, El Sayed M. Tag; Sultan, Faisal; Ghani, Muhammad Usman; Liu, Jia-Bao; Dehraj, Sanaullah; Cancan, Murat; Alhushaybari, Abdullah
A topological index as a graph parameter was obtained mathematically from the graph's topological structure. These indices are useful for measuring the various chemical characteristics of chemical compounds in the chemical graph theory. The number of atoms that surround an atom in the molecular structure of a chemical compound determines its valency. A significant number of valency-based molecular invariants have been proposed, which connect various physicochemical aspects of chemical compounds, such as vapour pressure, stability, elastic energy, and numerous others. Molecules are linked with numerical values in a molecular network, and topological indices are a term for these values. In theoretical chemistry, topological indices are frequently used to simulate the physicochemical characteristics of chemical molecules. Zagreb indices are commonly employed by mathematicians to determine the strain energy, melting point, boiling temperature, distortion, and stability of a chemical compound. The purpose of this study is to look at valency-based molecular invariants for SiO4 embedded in a silicate chain under various conditions. To obtain the outcomes, the approach of atom-bond partitioning according to atom valences was applied by using the application of spectral graph theory, and we obtained different tables of atom-bond partitions of SiO4. We obtained exact values of valency-based molecular invariants, notably the first Zagreb, the second Zagreb, the hyper-Zagreb, the modified Zagreb, the enhanced Zagreb, and the redefined Zagreb (first, second, and third). We also provide a graphical depiction of the results that explains the reliance of topological indices on the specified polynomial structure parameters.