A Study of Operations on Graphs

Final Year Project Report

Presented by

Muhammad Abdullah Afzal Registration No. BMA172016

Farah Karamat Registration No. BMA172019
Maryyam Yaseen Registration No. BMA172022
Muhammad Siraj Registration No. BMA172043
Muhammad Ubaid Ullah Registration No. BMA172045

In Partial Fulfillment
of the Requirment for the Degree of

BS Mathematics

DEPARTMENT OF MATHEMATICS
KHWAJA FAREED UNIVERSITY OF EINGINNERING
& INFORMATION TECHNOLOGY
RAHIM YAR KHAN
Session 2017–2021
KHWAJA FAREED UNIVERSITY OF EINGINNERING
& INFORMATION TECHNOLOGY
RAHIM YAR KHAN

FINAL APPROVAL

This project titled

A Study of Operations on Graphs
submitted to the Department of Mathematics
by
Muhammad Abdullah Afzal Registration No. BMA172016
Farah Karamat Registration No. BMA172019
Maryyam Yaseen Registration No. BMA172022
Muhammad Siraj Registration No. BMA172043
Muhammad Ubaid Ullah Registration No. BMA172045
in partial fulfillment of the requirements for the award of the degree of Master in
Mathematics has been accepted.

Supervisor:
Dr. Abdul Rauf Khan .............................................
Professor
Mathematics Department, KFUEIT
Rahim Yar Khan.

External Examiner:
Dr. Exertnal .............................................
Professor
Mathematics Department, KFUEIT
Rahim Yar Khan.

Head of the Department:

Dr. Nadeem Salamat .............................................
Professor
Mathematics Department, KFUEIT
Rahim Yar Khan.

ii
 DECLARATION OF THE STUDENT

We:
Muhammad Abdullah Afzal Registration No. BMA172016
Farah Karamat Registration No. BMA172019
Maryyam Yaseen Registration No. BMA172022
Muhammad Siraj Registration No. BMA172043
Muhammad Ubaid Ullah Registration No. BMA172045
hereby solemnly declare that we have produced the work presented in this project,
during the scheduled period of study.

Date: July 14, 2021 .........................................

Signature of the Student

.........................................
Signature of the Student

.........................................
Signature of the Student

.........................................
Signature of the Student

.........................................
Signature of the Student

iii
dedicated to my beloved parents

iv
Contents

Abstract vii

Acknowledgements viii

Notations ix

1 Introduction 1

2 Literature Review 4
2.1 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
2.2 Graph and its fundamental concepts . . . . . . . . . . . . . . . . . 4
2.2.1 Graph . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.2 Edge . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.3 Vertex . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.4 Incident-edges . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.5 Adjacent vertices . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.6 Size of Graph . . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.7 Order of Graph . . . . . . . . . . . . . . . . . . . . . . . . . 5
2.2.8 Vertex’s degree . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.9 Isolated-vertex . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.10 Pendant-vertex . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.11 Least degree . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.12 Maximum degree of a graph . . . . . . . . . . . . . . . . . . 6
2.2.13 Null-graph . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.14 Loop . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
2.2.15 Simple graph . . . . . . . . . . . . . . . . . . . . . . . . . . 6

v
 2.2.16 Connected . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
2.2.17 Hand Shake Lemma . . . . . . . . . . . . . . . . . . . . . . 7

3 Chapter 2 8
3.1 Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
3.2 Series of concealed Non-Kekulean benzenoid graph BG(n) . . . . . 8
3.3 Computing indices for BG(n) graph . . . . . . . . . . . . . . . . . . 11
3.4 Numerical and graphical comparison . . . . . . . . . . . . . . . . . 16
3.5 Conclusion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18

Bibliography 20

vi
Abstract

A function is convex if the line segment joining two points on the graph lies above
the graph. These functions have important properties and applications in math-
ematics. Specially, they are very important in optimization and minimization
problems. Also these functions are used in statistic and functional analysis. A
positive function f is logarithmic convex if log f is convex. It would seem that
log convex functions unremarkable because they are so simply related to convex
functions. But they have some surprising properties.
In the first chapter we generalize results for logarithmic convexity of Giaccardi’s
difference for classes of functions with the help of divided difference.

vii
Acknowledgements

Praise is to Almighty Allah, WHO is Lord of the world, the Answerer of prayers
and the Source of peace, whose blessing and exaltation flourished to the scared
wealth of knowledge.
Special praises and regards for His Last Messenger, Holy Prophet Hazrat
Muhammad (PBUH). Holy Prophet said that I AM the light, whoever follows
ME, will never be in the darkness.
I feel great pleasure in expressing my profound and heartiest gratitude to my
supervisor Dr. Atiq ur Rehman, for his indispensable guidance, deep consider-
ation, affection and active co-operation that made possible this work to meet its
end successfully well in time.
I would also like to thank HOD Dr. Sadia Siddiqa and all respected teachers
at Department of Mathematics, CIIT Attock for providing us healthy academic
environment. I am also thanks to [Link] Farid for helping me in this project
report.

Student Name

viii
Notations

The notation and concepts used in this monograph are more or less specified. The
reader is assumed to be familiar with the elements of Mathematical Analysis, as
well as General Algebra, Matrix Theory and Topology, and since the standard
notation and concepts were used, it was believed unnecessary to define all of them.
We give some of the Notation used in the Monograph.
Z the set of integer
N the set of positive integer
Q the set of rational numbers
R the set of real numbers

ix
Chapter 1

Introduction

Let p be an odd prime and let gcd(a, p) = 1. The Legendresymbol(a/p) is defined

by

 1 if a is a quadratic residue of p

(a/p) =
 -1 if a is a quadratic residue of p


For the want of better terminology, we shall refer ro a as the numerator and
p as the denominator of the symbol (a/p). Another symbol for the Legendre
symbol is ( ap ) or (a | p). There are many applications of graph theory in daily
life. The applications of graph theory is increasing every day. Chemical graph
theory is one of the new branch of graph theory. In chemical graph theory atoms
and bonds can be presented by vertices and edges. By the help of graph theory,
we can find the structural properties of graph in chemical graph theory. In the
theoretical chemistry such as QSPR/QSAR research, Topological indices have a
wide range of applications. Most of the researchers have worked for topological
indices. For this purpose they used different families of graphs. In the field of
chemical graph theory, molecular topology and in mathematical chemistry the
indices have wide significance. Chemist Diudea firstly introduce nano-tubes. An
object has nanoparticle which are of very small size that lies between the molecular
and microscopic structure. At the molecular through engineering nanoparticles can
be obtained [2, 3].
By the order paired of the set of vertices and set of edges graph can be formed. In

1
graph theory, most of the researchers denote the set of vertices by V (G) and the set
of edges by E(G) and graph by G. In this article, we use A for the representation
of graph. As there is a concept of open neighborhood and closed neighborhood in
topology. Similarly, in graph theory, vertex v ∈ Z(A) has open neighborhood and
closed neighborhood [4]. The vertices are adjacent to a specific vertex are closed
neighborhood [4] of that vertex. The degree of a vertex is the number of lines
(edges) which are incident to that vertex.
All graphs are connected in the following definitions, edge of the graph represented
by e = st ∈ Y (A), where Y (A) denotes edges set and Z(A) denotes vertex set.
The definition of Yt -degree Zagreb index is given as:

X
M et (A) = deget (e)2 (1.1)
e∈Y

The definition of Yt -degree Randic index of the A is given as:

1
X
Ret (A) = degte (e)− 2 (1.2)
e∈Y

The Yt -degree Zagreb α − index of the A define as

X
M1αte (A) = degte (t)2 (1.3)
t∈Z

1st Ze -degree Zagreb β − index of the A define as:

X
M1βte (A)) = (degte (s) + degte (t)) (1.4)
st∈Y

2nd Ze -degree Zagreb index of the A define as:

X
M2βte (A)) = (degte (s) ∗ degte (t)) (1.5)
st∈Y

The Ze -degree Randic index of the A define as:

1
X
Rte (A) = (degte (s) ∗ degte (t))− 2 (1.6)
st∈Y

The definition of Ze -degree Atom-Bond Connectivity index for A is given as:

2
 s
X degte (s) + (degte (t) − 2
ABC te (A) = (1.7)
st∈Y
degte (s) ∗ (degte (t)

The Ze -degree Geometric-Arithmetic (Ze − GA) index for A define as:

p
X 2 degte (s) ∗ (degte (t)
GAte (A) = (1.8)
st∈Y
degte (s) + (degte (t)

The Ze -degree Harmonic (Ze − H) index for A defined as:

X 2
H te (A) = (1.9)
st∈Y
degte (s) + (degte (t)

The definition of Ze -degree Sum-Connectivity (Ze − X) index for A is given as:

1
X
X te (A) = (degte (s) ∗ degte (t))− 2 (1.10)
st∈Y

3
Chapter 2

Literature Review

2.1 Overview
Combinatorics has a well known branch, named as ”graph theory”. It is subpart
of discrete mathematics but it has also similarities with optimization theory and
applied mathematics. Graph theory has vast area of application such as computer
science (computing and algorithms), electrical engineering (coding theory, commu-
nication and network), bio chemistry and operation theory. It is also used in great
extinct in sociology, psychology and physics. In this chapter we will discussed
relative to the canonical of ”graph theory” and is allotted into five parts. The
primitive part is for the fundamental of ”graph theory”. The second segment is
assigned to the basic graphs such as simple, empty, null. Third part is for different
kinds of graphs i.e planner, regular and irregular, connected and disconnected, di-
rected, bipartite and complete graph. In 4th section, characteristics of graph such
as path, trail, circuit, cycle and subgraphs have demonstrated.

2.2 Graph and its fundamental concepts

The structure formed by points and lines is known ”graph”. The points are given
there are named as vertices and lines are called edges. The idea about the ”graphs”
in ”graph theory” have some fundamental terms like line, point, edge, vertex,
properties of graphs, degree of vertices, etc.

4
2.2.1 Graph
The Diagrammatical depiction of lines and points is named as graph. The vertices
exhibited here by dots and edges by lines.

2.2.2 Edge
The connection between two points or vertices is known as an edge. The junction
between the vertices in the graph show the edges in Figure ??.

2.2.3 Vertex
The introductory item in graph is named as vertex. The dots in diagram show the
vertices.

2.2.4 Incident-edges
When more than 1 edge are joint by one vertex then these edges are said to be
incident. Here all edges of vertices are incident.

2.2.5 Adjacent vertices

The vertices connected by an edge is known as adjacent vertices. Here is the one
example out of adjacent vertices is a and g.

2.2.6 Size of Graph

If F be graph then size of graph is denoted by |S(F )|. It is considered as total
edges of the graph. There are 4 edges, so size is 4.

2.2.7 Order of Graph

It is consider as total number of vertices. Here order is 5.

5
2.2.8 Vertex’s degree
It is consider as the total edges that are linked to under consideration vertex.
Vertex x has 5 degree and m has 2 as degree. Remaining b, t, e, s, k all have 3 as
degree. Largest degree of graph is 5 and least degree is 2.

2.2.9 Isolated-vertex
Vertex which has 0 degree is considered as an isolated. Here m is an isolated.

2.2.10 Pendant-vertex
Vertex which has 1 degree is said to be pendant. Vertex q, w, r, y, t are Pendant.

2.2.11 Least degree

the minimum F degree defined by the τ (F ). The least degree is 2 in Figure ??.

2.2.12 Maximum degree of a graph

The maximum Degree of F designate for δ(F ). The largest degree of graph is 5 in
Figure ??.

2.2.13 Null-graph
If the edge set is empty then graph is consider as null-graph.

2.2.14 Loop
A connection by a line which joined the dot to its own is considered as a loop.
There is a loop on vertex d.

2.2.15 Simple graph

The graph is considered a simple graph with no loop or multiple edges.

6
2.2.16 Connected
When there is no separated vertex in a graph, all the vertices are connected then
it is consider as connected.

2.2.17 Hand Shake Lemma

Twice the number of edges is same as the summation of degrees of the total vertices
of the graph,
X
2|E| = deg(xi )
xi ∈V (G)
.

7
Chapter 3

Chapter 2

3.1 Methods
Mathematical combinatorial, edge partition method, degree counting method, graph
theoretical tools, vertex partition method, sum of degrees of neighbors method and
analytic techniques helped in obtaining results.

3.2 Series of concealed Non-Kekulean benzenoid

graph BG(n)
Kekulean and non-Kekulean are two structures in benzenoid graph. By the chem-
ical point of view these two structures have important properties in benzenoids.
There is no Kekulean structure of benzenoid with different number of un-starred
and starred vertices. These possess color excess and referred to a non-Kekulean
benzenoids.
Kekulean structures of benzenoids with equal numbers of un-starred and starred
vertices. According to Gutman’s point of view, for a benzenoid to be Kekulean the
necessary and sufficient condition is the equal numbers of un-starred and starred
vertices [5] . In the series of concealed non-Kukelan benzenoid graph, there are
(17n + 14) total number os edges, as shown in Figure 3.1, in the middle of graph

8
where n is the number of connected lines.
It has been noted that there are only 8 systems of such types exist. The connected
graph is decomposed into 2 parts by eliminating the edge cut. Such a structure is
called the Kekulean structure of the benzenoid graph [6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16] .
In this article, Figure 3.1 use as the concealed non-Kekulean benzenoid graph. In
Figure 3.1, the series of concealed non-Kekulean benzenoid graphs has 6 quasi-
orthogonal cuts (i.e., Sc : c = 1, 2, ..., 6) of different lengths. The lengths and
the number of cuts in the series of concealed non-Kekulean benzenoid graphs are
2, 3, 6, n, n + 1 and n + 2 and 1, 2, 2, 4, 4 and 2(n − 1), respectively.
In the following Table , vertices have degree three are represented by Z2 and the
vertices have degree two are represented by Z1 .
So finally there are 10n vertices of degree 3 and there are (2n + 14) vertices of
degree 2. Using the similar methodlogy we will do edges partition. The edge
partition of series of concealed non-Kekulean benzenoid graph is given in Table
(Tables and ).
In Table , on the base of Yt − degree we partition the edges of our given graph.
In Tables and , on the base of Ze − degree of series of concealed non- Kekulean
benzenoid graph we partition the vertices.

Figure 3.1: Series of Concealed Non-Kekulean Benzenoid Graph BG(n).

9
 n 1 2 3 4 5 6 7
Z1 16 18 20 22 24 26 28
Z2 10 20 30 40 50 60 70

Table 3.1: Vertex partition of BG(n).

(deg(s)), (deg(t)) N umber of edges

(2, 2) 18
(2, 3) 4 + 12
(3, 3) 13n − 6

Table 3.2: Edge partition of BG(n).

T otal vertices T otal edges

12n + 14 17n + 14

Table 3.3: Edges and vertex of BG(n).

deg(s) N umber of vertices

2 2n + 14
3 10n

Table 3.4: Number of vertices with corresponding degrees.

N umber of edges Degree of its end vertices Yt − degrees

8 (2, 2) 4
4(n + 3) (2, 3) 5
13n − 63 (3, 3) 6

Table 3.5: Edge partition of BG(n).

N umber of vertices Degrees Ze − degrees

4 2 4
8 2 5
2(n + 1) 2 6
2(n + 2) 3 7
4 3 8
8(n − 1) 3 9

Table 3.6: Vertex partition of BG(n).

10
3.3 Computing indices for BG(n) graph
• Yt -degree Zagreb index.

In Table , we compute the Yt − degree based Zagreb index by using Yt − degree

from edges partition of BG(n):

X
M et (BG(n)) = deget (e)2
e∈Y (BG(n))

M et (BG(n)) = 8 × 42 + 4 × (n + 3) × 52 + (13n − 6) × 62

= 128 + 100n + 300 + 468n − 216

= 568n + 212

• 1st Ze -degree Zagreb α − index.

In Table , we compute 1st Ze degree Zagreb α − index by using Ze -degree from

vertices partition of BG(n):

X
M1αet (BG(n)) = degte (t)2
t∈Z(BG(n))

M1αet (BG(n)) = 4 ∗ 42 + 8 ∗ 52 + 2(n + 1) ∗ 62 + 2(n + 2) ∗ 72 + 4 ∗ 82 + 8(n − 1) ∗ 92

N umber of edges Degree of its end vertices Ze − degrees of its end vertices
8 (2, 2) (4, 5)
8 (2, 3) (5, 7)
4n (2, 3) (6, 7)
4 (2, 3) (6, 8)
2(n + 2) (3, 3) (7, 9)
2 (3, 3) (8, 8)
4 (3, 3) (8, 9)
11n − 16) (3, 3) (9, 9)

Table 3.7: The Ze − degree of the end vertices of edges of BG(n).

11
 = 64 + 200 + 72n + 72 + 98n + 196 + 256 + 648n − 648

= 818n + 140

• 1st Ze -degree Zagreb β − index.

In Table , we compute 1st Ze -degree Zagreb β − index by using Ze -degree from

end vertices of edges partition of BG(n):

X
M1βte (BG(n)) = (degte (s) + degte (t))
st∈Y (BG(n))

M1βte (BG(n)) = 8∗9+8∗12+4n∗13+4∗14+2(n+2)∗16+2∗16+4∗17+(11n−16)∗18

= 72 + 96 + 52n + 56 + 32n + 64 + 32 + 68 + 198n − 288

= 282n + 100

• 2nd Ze -degree Zagreb index.

In Table , we compute 2nd Ze -degree based Zagreb index by using Ze -degree of

end vertices of edges partition of BG(n):

X
M2te (BG(n)) = (degte (s) ∗ degte (t))
st∈Y (BG(n))

M2te (BG(n)) = 8∗20+8∗35+4n∗42+4∗48+2(n+2)∗63+2∗64+4∗72+(11n−16)∗81

= 160 + 280 + 168n + 192 + 126n + 252 + 128 + 288 + 891n − 1296

= 1185n + 4

12
 • The Ze -degree Randic index.

In Table , we compute the Ze -degree Randic index by using Ze -degree of end

vertices of edges partition of BG(n).

1
X
Rte (BG(n)) = (degte (s) ∗ degte (t))− 2
st∈Y (BG(n))

1 1 1 1 1 1
Rte (BG(n)) = 8 ∗ 20− 2 + 8 ∗ 35− 2 + 4n ∗ 42− 2 + 4 ∗ 48− 2 + 2(n + 2) ∗ 63− 2 + 2 ∗ 64− 2

1 1
+4 ∗ 72− 2 + (11n − 16) ∗ 81− 2

4 8 4n 1 2n 4 1 2 11n 16
=√ +√ +√ +√ + √ + √ + + √ + −
5 35 42 3 3 7 3 7 4 3 2 9 9

4 2 11 4 8 1 4 2 55
= ( √ + √ + )n + ( √ + √ + √ + + √ + √ − )
42 3 7 9 5 35 3 3 7 3 2 36

• The Yt -degree Randic index.

In Table , we compute the Yt -degree based Randic index by using Yt -degree of

end vertices of edges partition of BG(n):

1
X
Ret (BG(n)) = (deget (e)− 2
e∈Y (BG(n))

1 1 1
Ret (BG(n)) = 8 ∗ 4− 2 + 4(n + 3) ∗ 5− 2 + (13n − 6) ∗ 6− 2

4 13 12 6
= ( √ + √ )n + (4 + √ − √ )
5 6 5 6

• The Atom-Bond Connectivity index.

In Table , we compute the Atom-Bond Connectivity index by using Ze -degree

of end vertices of edges partition of BG(n):

13
 s
X deget (s) + (deget (t) − 2
ABC te (BG(n)) =
deget (s) ∗ (deget (t)
st∈Y (BG(n))

r r r r
te 9−2 12 − 2 13 − 2 14 − 2
ABC (BG(n)) = 8 ∗ +8∗ + 4n ∗ +4∗
20 35 42 48
r r r
16 − 2 16 − 2 17 − 2
+2(n + 2) ∗ +2∗ +4∗
63 64 72
r
18 − 2
+(11n − 16) ∗
81

√ √ √ √ √ √ √
4 7 8 2 4n 11 2n 2 4 2 14 2 5 44n 64
= √ + √ + √ +2+ √ + + + √ + −
5 7 42 3 3 4 6 9 9

√ √ √ √ √ √ √
4 11 2 2 44 4 7 8 2 4 2 14 2 5 46
=(√ + √ + )n + ( √ + √ + + + √ − )
42 3 9 5 7 3 4 6 9

• The Geometric-Arithmetic index.

In Table , we compute the Geometric-Arithmetic index by using Ze -degree of

end vertices of edges partition of BG(n):
p
te
X 2 deget (s) ∗ (deget (t)
GA (BG(n)) =
deget (s) + (deget (t)
st∈Y (BG(n))

√ √ √ √ √
te 2 20 2 35 2 42 2 48 2 63
GA (BG(n)) = 8 ∗ +8∗ + 4n ∗ +4∗ + 2(n + 2) ∗
9 12 13 14 16
√ √ √
2 64 2 72 2 81
+2 ∗ +4∗ + (11n − 16) ∗
16 17 18

√ √ √ √ √ √ √
32 5 4 35 8n 42 16 3 3n 7 3 7 48 2
= + + + + + +2+ + 11n − 16
9 3 13 7 4 2 17

√ √ √ √ √ √ √
8 42 3 7 32 5 4 35 16 3 3 7 48 2
= (11 + + )n + ( + + + + − 14)
13 4 9 3 7 2 17

14
 • The Harmonic index.

In Table , we compute the Harmonic index by using Ze -degree of end vertices

of edges partition of BG(n):

X 2
X te (BG(n)) = ,
degte (s) + degte (t)
st∈Y (BG(n))

2 2 2 2 2 2 2 2
X te (BG(n)) = 8∗ +8∗ +4n∗ +4∗ +2(n+2)∗ +2∗ +4∗ +(11n−16)∗
9 12 13 14 16 16 17 18

16 4 8n 4 n 1 1 8 11n 16
= + + + + + + + + −
9 3 13 7 4 2 4 17 9 9

277 4463
= n+
468 1428

• The Sum-Connectivity index.

In Table , we compute the Sum-Connectivity index by using Ze -degree of end

vertices of edges partition of BG(n):

X
}te (BG(n)) = (degte (s) + degte (t))−1/2 ,
st∈Y (BG(n))

}te (BG(n)) = 8∗(9)−1/2 +8∗(12)−1/2 +4n∗(13)−1/2 +4∗(14)−1/2 +2(n+2)∗(16)−1/2 +2∗(16)−1/2

+4 ∗ (17)−1/2 + (11n − 16) ∗ (18)−1/2

8 4 4n 4 n 1 4 11n 16
= + √ + √ + √ + +1+ + √ + √ − √
3 3 13 14 2 2 17 3 2 3 2

4 1 11 25 4 4 4 16
= ( √ + + √ )n + ( + √ + √ + √ − √ )
13 2 3 2 6 3 14 17 3 2

15
3.4 Numerical and graphical comparison
In this section we calculate some values of all topological indices and present nu-
merical and graphical results as follows:
In the first numerical comparison of Yt -Zagreb index, 1st Zagreb α-index, 1st Za-
greb β-index and 2nd Zegreb index, we computed these indices for different values
of n. It can easily be observed that when value of n increase, indices values are also
increased as shown in Table . The graphical representation of these topological
indices are illustrated in Figure 3.2 for the different values of n.
In the next numerical comparison of Harmonic index, Ze -Randic index and Sum-
Connectivity index, we calculate these indices for different values of n. It can easily
observe that the values of
14000

12000

10000

8000

6000

4000

2000

0
1 2 3 4 5 6 7 8 9 10

EV-Zagreb index

1st Zagreb alpha index

1st Zagreb beta index

2nd Zagreb index

Figure 3.2: Graphical Comparison of M et , M1αte , M1βte and M2te

these numerical indices are increased as the value of n increased. The graphical
representation of these topological indices show that Harmonic and Ze -Randic
index are overlapped for all the values of n as shown in Figure 3.3.
In the last numerical comparison of Yt -Randic index, Geometric Arithmetic
index and Atom Bond Connectivity index, we computed these indices for different
values of n. It can easily be observed that when value of n increase, indices values
are also increased as shown in Table . It can be seen in graphical representation

16
 n M et M1αte M1βte M2te
1 580 958 382 1189
2 1348 1776 664 2374
3 1916 2594 946 3559
4 2484 3412 1228 4744
5 3052 4230 1510 5929
6 3620 5048 1792 7114
7 4188 5866 2074 8299
8 4756 6684 2356 9484
9 5324 7502 2638 10669
10 5892 8320 2920 11854

Table 3.8: Numerical Comparison of M et , M1αte , M1βte and M2te

n H te Rte X te
1 5.213 5.257 8.946
2 7.301 7.348 13.148
3 9.388 9.439 17.35
4 11.476 11.530 21.552
5 13.564 13.621 25.755
6 15.652 15.712 29.957
7 17.740 17.803 34.159
8 19.828 19.894 38.361
9 21.915 21.985 42.563
10 24.003 24.076 46.765

Table 3.9: Numerical Comparison of H te ,Rte and X te

n Ret GAte ABC te

1 14.013 30.732 16.424
2 21.109 47.704 21.313
3 28.205 64.676 26.201
4 35.301 81.648 31.09
5 42.397 98.621 35.979
6 49.493 115.594 40.868
7 56.59 132.566 45.757
8 63.686 149.539 50.646
9 70.782 166.511 55.535
10 77.878 183.484 60.424

Table 3.10: Numerical Comparison of Ret ,GAte and ABC te

17
 50

45

40

35

30

25

20

15

10

0
1 2 3 4 5 6 7 8 9 10

VE-Harmonic index

VE-Randic index

VE-Sum-connectivity index

Figure 3.3: Graphical Comparison of H te , Rte and χte

that Yt -Randic index and Atom Bond Connectivity index are same for some values
of n as shown in Figure 3.4.

3.5 Conclusion
To understand underline topologies it is necessary to study of networks through
topological descriptors and graphs. In the fileds of bioinformatics, biomedicine and
cheminformatics such investigations have major role. In the fileds of bioinformat-
ics, biomedicine and cheminformatics where several challenging schemess are deal
by various graph invariants-based assessments. Graph invariants are important
tools to predicate and approximate the properties of the chemical and biological
compounds in the QSPRs and QSARs.

18
 200

180

160

140

120

100

80

60

40

20

0
1 2 3 4 5 6 7 8 9 10

EV-Randic index

Geometric Arithmetic index

Atom-bond Connectivity index

Figure 3.4: Graphical Comparison of Ret , GAte and ABC te

In the above discussion, we have provided results related to the Yt -degree and Ze -
degree based indices for the series of concealed non-Kekulean benzenoid graphs
BG(n).

19
Bibliography

[1] Chellali, M., Haynes, T. W., Hedetniemi, S. T., and Lewis, T. M. (2017). On
ve-degrees and ev-degrees in graphs. Discrete Mathematics, 340(2), 31-38.

[2] Diudea, M. V., Vizitiu, A. E., Mirzagar, M., and Ashrafi, A. R. (2010). Sad-
hana polynomial in nano-dendrimers. Carpathian Journal of Mathematics,
59-66.

[3] Diudea, M. V., Simona, C., and Johnb Peter, E. (2008). Omega and related
counting polynomials. matrix, 36, 37.

[4] Cancan, M. (2019). On Ev-degree and Ve-degree topological properties of

Tickysim spiking neural network. Computational intelligence and neuro-
science, 2019.

[5] Gutman, I. (1982). The number of Kekul structures in conjugated systems

containing a linear polyacene fragment. Croatica Chemica Acta, 55(4), 371-
374.

[6] Gutman, I., and Cyvin, S. J. (2012). Introduction to the theory of benzenoid
hydrocarbons. Springer Science and Business Media.

[7] John, P. E., Khadikar, P. V., and Singh, J. (2007). A method of computing
the PI index of benzenoid hydrocarbons using orthogonal cuts. Journal of
mathematical chemistry, 42(1), 37.

[8] John, P. E., Vizitiu, A. E., Cigher, S., and Diudea, M. V. (2007). CI index
in tubular nanostructures. MATCH Commun. Math. Comput. Chem, 57(2),
479-484.

20
 [9] Julietraja, K., Venugopal, P., Prabhu, S., Arulmozhi, A. K., and Siddiqui,
M. K. (2021). Structural Analysis of Three Types of PAHs Using Entropy
Measures. Polycyclic Aromatic Compounds, 1-31.

[10] Julietraja, K., Venugopal, P., Prabhu, S., and Liu, J. B. (2020). M-Polynomial
and Degree-Based Molecular Descriptors of Certain Classes of Benzenoid Sys-
tems. Polycyclic Aromatic Compounds, 1-30.

[11] Khadikar, P. V., Agrawal, V. K., and Karmarkar, S. (2002). Prediction of

lipophilicity of polyacenes using quantitative structureactivity relationships.
Bioorganic and medicinal chemistry, 10(11), 3499-3507.

[12] Khadikar, P. V., Joshi, S., Bajaj, A. V., and Mandloi, D. (2004). Correlations
between the benzene character of acenes or helicenes and simple molecular
descriptors. Bioorganic and medicinal chemistry letters, 14(5), 1187-1191.

[13] Chu, Y. M., Julietraja, K., Venugopal, P., Siddiqui, M. K., and Prabhu,
S. (2021). Degree-and irregularity-based molecular descriptors for benzenoid
systems. The European Physical Journal Plus, 136(1), 1-17.

[14] Cyvin, S. J., and Gutman, I. (2013). Kekul structures in benzenoid hydrocar-
bons (Vol. 46). Springer Science and Business Media.

[15] Dias, J. R. (1999). Resonance structures of benzenoid conjugated radicals.

Physical Chemistry Chemical Physics, 1(22), 5081-5086.

[16] Prabhu, S., Murugan, G., Arockiaraj, M., Arulperumjothi, M., and Man-
imozhi, V. (2021). Molecular topological characterization of three classes
of polycyclic aromatic hydrocarbons. Journal of Molecular Structure, 1229,
129501.

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