Abstract

Due to the combinatorial nature of graphs they are used easily in pure sciences and social sciences. The dynamical arrangement of vertices and their associated edges make them flexible (like liquid) to attain the shape of any physical structure or phenomenon easily. In the field of ICT they are used to reflect distributed component and communication among them. Mathematical chemistry is another interesting domain of applied mathematics that endeavors to display the structure of compounds that are formed in result of chemical reactions. This area attracts the researchers due to its applications in theoretical and organic chemistry. It also inspires the mathematicians due to involvement of mathematical structures. Regular or irregular bonding ability of molecules and their formation of chemical compounds can be analyzed using atomic valences (vertex degrees). Pictorial representation of these compounds helps in identifying their properties by computing different graph invariants that is really considered as an application of graph theory. This paper reflects the work on topological indices such as -degree Zagreb index, the first -degree Zagreb index, the first -degree Zagreb index, the second -degree Zagreb index, -degree Randic index, the -degree Randic index, the -degree atom-bond connectivity index, the -degree geometric-arithmetic index, the -degree harmonic index and the -degree sum-connectivity index for crystal structural networks namely, bismuth tri-iodide and lead chloride. In this article we have determine the exact values of -degree and -degree based topological descriptors for crystal networks.

Highlights

  • Computation of topological indices for large chemical structures becomes very challenging but still useful in depicting the structure and physico-chemical properties that are extremely important in reticular chemistry

  • In the field of ICT they are used to reflect distributed component and communication among them. Mathematical chemistry is another interesting domain of applied mathematics that endeavors to display the structure of compounds that are formed in result of chemical reactions

  • This paper reflects the work on topological indices such as ev-degree Zagreb index, the first ve-degree Zagreb index, the first ve-degree Zagreb index, the second ve-degree Zagreb index, ve-degree Randic index, the ev-degree Randic index, the ve-degree atom-bond connectivity index, the ve-degree geometric-arithmetic index, the ve-degree harmonic index and the ve-degree sum-connectivity index for crystal structural networks namely, bismuth tri-iodide and lead chloride

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Summary

Introduction

Computation of topological indices for large chemical structures becomes very challenging but still useful in depicting the structure and physico-chemical properties that are extremely important in reticular chemistry. These indices play an important role in the area of mathematical chemistry and control theory, mainly in QSAR/QSPR investigations [3,4]. The networks that are topologically equivalent, they exibit different labelings of distinct atoms but due to topological indices they are invariant. These indices describe the connections among the atoms and in this way they are basic invariants that show a relationship with biological activity and chemical reactivity. Topological study of a MOF means transforming the connectivity of any structure into a unique number representing an index of the metal-organic framework under consideration. Article [6– 22] can give more deep insight as literature survey

Preliminaries
Crystal Structures
Graph of Bismuth Tri-Iodide
The First ve-degree Zagreb a Index
The ev-degree Randic Index
4.10 The ve-degree Sum-connectivity Index
The Graph of Lead Chloride
The ve-degree Atom-bond Connectivity Index
5.10 The ve-degree Sum-Connectivity Index
Graphical Representation and Discussion
Conclusion
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