Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, melting point, distortion, and strain energy etc. In this paper, we determined the M-polynomials of the crystallographic structure of the molecules Cu2O and TiF2 [p,q,r]. Then we derived closed formulas for some well-known topological indices using calculus. In the end, we used Maple 15 to plot surfaces associated with the topological indices of Cu2O and TiF2 [p,q,r].
Laplace transform is a powerful tool for solving differential and integrodifferential equations in engineering sciences. The use of Laplace transform for the solution of differential or integrodifferential equations sometimes leads to the solutions in the Laplace domain that cannot be inverted to the real domain by analytic methods. Therefore, we need numerical methods to invert the solution to the real domain. In this work, we construct numerical schemes based on Laplace transform for the solution of fractional-order Volterra integrodifferential equations in the sense of the Atangana-Baleanu Caputo derivative. We propose two numerical methods for approximating the solution of fractional-order linear and nonlinear Volterra integrodifferential equations. In our scheme, the inverse Laplace transform is approximated using a contour integration method and Stehfest method. Some numerical experiments are performed to check the accuracy and efficiency of the methods. The results obtained using these methods are compared.
Dendrimers have an incredibly strong potential because their structure allows multivalent frameworks, i.e. one dendrimer molecule has many possible destinations to couple to a functioning species. Researchers expected to utilize the hydrophobic conditions of the dendritic media to lead photochemical responses that make the things that are artificially tested. Carboxylic acid and phenol- terminated water-dissolvable dendrimers were joined to set up their utility in tranquilize conveyance and furthermore driving compound reactions in their inner parts. This may empower scientists to associate both concentrating on atoms and medication particles to the equivalent dendrimer, which could diminish negative manifestations of prescriptions on sound and health cells. Topological indices are numerical numbers associated with the graphs of dendrimers and are invariant up to graph isomorphism. These numbers compare certain physicochemical properties like boiling point, strain energy, stability, etc. of a synthetic compound. There are three main types of topological indices, i.e degree-based, distance-based and spectrum-based. In this paper, our aim is to compute some degree-based indices and polynomials for some dendrimers and polyomino chains. We computed redefined first, second and third Zagreb indices of PAMAM dendrimers PD1, PD2, and DS1 and linear Polyomino chain Ln , Zigzag Polyomino chain Zn, polyomino chain with n squares and of m segments $B_{n}^{1}$and $B_{n}^{2}$We also computed some Zagreb polynomials of understudy dendrimers and chains.
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