Computing Analysis of Degree and Connection Based Irregular Indices of Polycyclic Aromatic Hydrocarbons

(E-pub Ahead of Print)

Author(s): Muhammad Javaid*, Muhammad Ibraheem, Abdul Raheem

Journal Name: Current Organic Synthesis


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Abstract:

Introduction: A graph is supposed to be regular if all vertices have equal degree, otherwise irregular.

Materials and Methods: Polycyclic aromatic hydrocarbons are important combusting material and considered as a class of carcinogens. These polycyclic aromatic hydrocarbons play an important role in graphitisation of medical science. A topological index is a function that assigns a numerical value to a (molecular) graph that predicts various physical, chemical, biological, thermodynamical and structural properties of (molecular) graphs. An irregular index is a topological index that measures the irregularity of atoms with respect to their bonding for the chemical compounds which are involved in the under studying graphs.

Results and Discussion: In this paper, we will compute an analysis of distance based irregular indices of polycyclic aromatic hydrocarbons. A comparison among the obtained indices with the help of their numerical values and the 3D presentations is also included. The efficient and steady indices of polycyclic aromatic hydrocarbons are addressed in the form of their irregularities.

Conclusion: Connection based study of the molecular graphs is more suitable than the degree based irregularity indices.

Keywords: Topological descriptors, irregularity indices, degree, connection number, polycyclic aromatic hydrocarbons, molecular graphs, molecular descriptors, edge partitions.

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(E-pub Ahead of Print)
DOI: 10.2174/1570179418666210309145043
Price: $95

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