in theoretical chemistry, molecular structure descriptors are used to compute properties of chemical compounds. among them wiener, szeged and detour indices play significant roles in anticipating chemical phenomena. in the present paper, we study these topological indices with respect to their difference number.

Let G and H be connected graphs. The tensor product G + H is a graph with vertex set V(G+H) = V (G)  V(H) and edge set E(G + H) ={(a , b)(x , y)| ax ∈ E(G) & by ∈ E(H)}. The graph H is called the strongly triangular if for every vertex u and v there exists a vertex w adjacent to both of them. In this article the tensor product of G + H under some distancebased topological indices are investiga...

Recently two new degree concepts have been defined in graph theory: ev-degree and ve-degree. Also the evdegree and ve-degree Zagreb and Randić indices have been defined very recently as parallel of the classical definitions of Zagreb and Randić indices. It was shown that ev-degree and ve-degree topological indices can be used as possible tools in QSPR researches . In this paper we define the ve...

Sierpinski graphs are a widely observed family of fractal-type relevant to topology, Hanoi Tower mathematics, computer engineering, and around. Chemical implementations graph theory establish significant properties, such as chemical activity, physicochemical thermodynamic pharmacological activities molecular graph. Specific descriptors alluded topological indices helpful predict these propertie...

In this study an attempt was made to understand the structural requirements for Topoisomerase I (Topo I) inhibition using a novel Group based QSAR (GQSAR) or fragment based QSAR technique. Here we combined the GQSAR technology with conventional 2D and 3D QSAR to derive GQSAR models for various reported naphthoquinone derivatives. Various regression models such as Multiple Regression (MRA), Part...

Porous material such as metal-natural constructions and their particular partner poly-hydra are made up of inorganic clusters with no saturation exhibit great capability for utilization in the absorption gas ascending opening optics detecting biotechnology hardware. Cuboctahedral bi-metallic structure is an often-quoted example polyhedra class. In this study, we have calculated first second Zag...

We lay out an experiment to realize time-reversal invariant topological insulators in alkali atomic gases. We introduce an original method to synthesize a gauge field in the near field of an atom chip, which effectively mimics the effects of spin-orbit coupling and produces quantum spin-Hall states. We also propose a feasible scheme to engineer sharp boundaries where the hallmark edge states ar...

Mobeen Munir 1, Waqas Nazeer 1, Shazia Rafique 2 and Shin Min Kang 3,4,* 1 Division of Science and Technology, University of Education, Lahore 54000, Pakistan; [email protected] (M.M.); [email protected] (W.N.) 2 Center for Excellence in Molecular Biology, Punjab University Lahore, Lahore 53700, Pakistan; [email protected] 3 Department of Mathematics and Research Institute of Natural ...

Volatile organic compounds (VOCs) play an important role in different photochemical processes in the troposphere. In order to predict their impact on ozone formation processes a detailed knowledge about their abundance in the atmosphere as well as their reaction rate constants is required. The QSPR models were developed for the prediction of reaction rate constants of volatile unsaturated hydro...