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Application of Corona Product of Graphs in Computing Topological Indices of

Some Special Chemical Graphs

Chapter · January 2017

DOI: 10.4018/978-1-5225-2498-4.ch004

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Chapter 4
Application of Corona Product
of Graphs in Computing
Topological Indices of Some
Special Chemical Graphs
Nilanjan De
Calcutta Institute of Engineering and Management, India

ABSTRACT
Graph operations play a very important role in mathematical chemistry, since some chemically interesting
graphs can be obtained from some simpler graphs by different graph operations. In this chapter, some
eccentricity based topological indices such as the total eccentricity index, eccentric connectivity index,
modified eccentric connectivity index and connective eccentricity index and their respective polynomial
versions of corona product of two graphs have been studied and also these indices of some important
classes of chemically interesting molecular graphs are determined by specializing the components of
corona product of graphs.

INTRODUCTION

Chemical graph theory is a branch of mathematical chemistry in which different tools from graph theory
are used to model the chemical phenomenon mathematically. Molecules and molecular compounds are
modeled as molecular graphs, in which the vertices correspond to the atoms and the edges correspond to
the chemical bonds between the atoms. A topological index is a numeric value which is a graph invariant
and correlates the physico-chemical properties of a molecular graph. Topological indices are used for
studying quantitative structure-activity relationship (QSAR) and quantatitive structure-property relation-
ship (QSPR) for predicting different properties of chemical compounds and their biological activities.
In chemistry, biochemistry and nanotechnology different topological indices are found to be useful in
isomer discrimination, QSAR, QSPR and pharmaceutical drug design. Usage of topological indices in
biology and chemistry began in 1947 when chemist Harold Wiener introduced the wiener index to study

DOI: 10.4018/978-1-5225-2498-4.ch004

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Application of Corona Product of Graphs in Computing Topological Indices

the correlations between physico-chemical properties of organic compounds such as alkanes, alcohols,
amines etc (Wiener, 1947). There are several studies regarding different topological indices of special
molecular graphs of which we mention a few.
The Let G be a simple connected graph with vertex set V (G ) and edge set E (G ) . Let n and m be the
number of vertices and edges of G respectively. Let u , v ∈V (G ) , then the distance d (u , v) between u
and v is defined as the length of a minimum path connecting u and v. Also for a given vertex v of V(G)
its eccentricity ε (v) is the largest distance from v to any other vertices of G. For different terminology
and notation, we refer the reader to Harary (1969). Topological indices can be classified into different
categories such as, vertex degree based topological indices, vertex eccentricity based topological indices,
vertex degree cum eccentricity based topological indices, distance based topological indices etc. In this
study we have mainly concentrated on vertex degree cum eccentricity based topological indices such as
Eccentric Connectivity index, Modified Eccentric Connectivity index, Connective Eccentric index.

BACKGROUND

Different topological indices have been defined and many of them have found applications as means
to model chemical, pharmaceutical and other properties of molecules. Thus topological indices are
convenient means of translating chemical constitution into numerical values. There are various types
of topological indices; among these in this chapter we consider mainly vertex degree cum eccentricity
based topological indices. The total eccentricity index of a graph is defined as

n
ζ (G ) = ∑ ε G (vi ) .
i =1

Fathalikhani et al. (2014) have studied total eccentricity of some graph operations. Some studies on
total eccentricity index are also found in literature (Dankelmann, Goddard & Swart, 2004; De, Nayeem
& Pal, 2014, 2015).The eccentric connectivity index of a graph G was proposed by Sharma, Goswami
and Madan (1997) and is defined as

n
ξ c (G ) = ∑ dG (vi )ε G (vi ) .
i =1

A lot of results related to chemical and mathematical study on eccentric connectivity index have
been obtained, for details see (Zhou & Du, 2010; Yang & Xia, 2010; Das & Trinajstic, 2011; Zhang &
Hua, 2010; Ghorbani & Hemmasi, 2009; Dureja & Madan, 2007; Ashrafi, Ghorbani & Hossein-Zadeh,
2011; Doslic, Saheli & Vukicevic, 2010).
Let δ G (vi ) = ∑ dG (v j ) i.e. sum of degrees of the neighbor vertices of G, so that | N (vi ) |= dG (vi ) .
v j ∈N ( vi )

One modified version of eccentric connectivity index is defined as (Ashrafi & Ghorbani, 2010):

83
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