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Anwar Alwardi
DOS in Mathematics, University of Mysore
Mysore 570 006, India
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The Zagreb indices have been introduced in 1972 to explain some properties of chemical
compounds at molecular level mathematically. Since then, the Zagreb indices have been
studied extensively due to their ease of calculation and their numerous applications in
place of the existing chemical methods which needed more time and increased the costs.
Many new kinds of Zagreb indices are recently introduced for several similar reasons.
In this paper, we introduce the entire Zagreb indices by adding incidency of edges and
vertices to the adjacency of the vertices. Our motivation in doing so was the following
fact about molecular graphs: The intermolecular forces do not only exist between the
atoms, but also between the atoms and bonds, so one should also take into account the
relations (forces) between edges and vertices in addition to the relations between vertices
to obtain better approximations to intermolecular forces. Exact values of these indices
for some families of graphs are obtained and some important properties of the entire
Zagreb indices are established.
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1. Introduction
A graph is a collection of points together with a number of lines connecting a subset
of them. The points and lines of a graph are called vertices and edges of the graph,
respectively. The vertex and edge sets of a graph G are denoted by V (G) and
E(G), or briefly by V and E, respectively. If we think of molecules as particular
chemical structures, and if we replace atoms and bonds with vertices and edges,
respectively, the obtained graph is called a molecular graph. That is, a molecular
graph is a simple graph such that its vertices correspond to the atoms and its
edges to the bonds. Note that hydrogen atoms are often omitted and the remaining
part of the graph is sometimes called as the carbon graph of the corresponding
molecule. Chemical graph theory which deals with the above mentioned relations
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which has an important effect on the development of the molecular chemistry and
QSAR/QSPR studies.
In this paper, we are concerned with simple graphs which are finite, undirected
with no loops nor multiple edges. Throughout this paper, we let |V (G)| = p and
|E(G)| = q. The complement of G, denoted by G, is a simple graph on the same set
of vertices V (G) in which two vertices u and v are adjacent if and only if they are not
adjacent inG. That is, uv ∈ E(G) ⇔ uv ∈ / E(G). Obviously, E(G)∪E(G) = E(Kp )
and q = p2 − q, where q denotes the number of edges of G.
The open and closed neighborhoods of a vertex v are denoted by N (v) = {u ∈
V : uv ∈ E} and N [v] = N (v) ∪ {v}, respectively. The degree of a vertex v in G is
denoted by degG (v) or briefly by dG (v), and is defined to be the number of edges
incident with v. In fact, deg(v) = |N (v)|. When there is no confusion, one can also
omit G and use d(v) instead of dG (v). Clearly, the degree of the same vertex v in
G is given by degG (v) = p − 1 − deg(v). The minimum degree of G is denoted by
δ, and the maximum degree is denoted by ∆. If δ = ∆ = k for a graph G, we say
that G is a regular graph of degree k. Also a graph with the property that ∆ ≤ 4
is called a molecular graph.
The line graph of a simple graph G is a graph denoted by L(G) that represents
the adjacencies between the edges of G. In other words, L(G) is the graph of which
the vertices are the edges of G. The total graph T (G) of a graph G is the graph
such that the vertex set of T (G) consists of the vertices and edges of G and two
vertices are adjacent in T (G) if and only if their corresponding elements are either
adjacent or incident in G. It is easy to see that |V (T (G))| = p + q and |E(T (G))| =
2q + 12 v∈V (G) [d(v)]2 .
As usual, the path, wheel, cycle, star, complete graphs with p vertices are
denoted by Pp , Wp , Cp , Sp , Kp ; and the complete bipartite and tadpole graphs
are denoted by Kr,s and Tr,s , respectively. For more detailed information about the
definitions and terminologies about graphs, see [7].
A topological graph index is a numerical value associated with chemical
constitution purporting for correlation of chemical structure with various physical
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molecular motion becomes so intense that the bonds between molecules break and
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become a gas. The moment the liquid turns to gas is labeled as the boiling point.
The boiling point can give important clues about the physical properties of chemical
structures. Molecules which strongly interact or bond with each other through a
variety of intermolecular forces cannot move easily or rapidly and therefore, do not
achieve the kinetic energy necessary to escape the liquid state. That is why the
boiling points of the alkanes increase with molecular size.
Two of the most useful topological graph indices are the first and second Zagreb
indices which have been introduced by Gutman and Trinajstic in [6]. They are
denoted by M1 (G) and M2 (G) and were defined as
M1 (G) = [d(u)]2
u∈V (G)
and
M2 (G) = d(u)d(v),
uv∈E(G)
and
1
M2 (G) = d(u) d(v).
2
u∈V (G) v∈N (u)
Similarly, the first and second Zagreb coindices of a graph G are denoted by
M1 (G) and M2 (G), respectively, and were introduced in [3], as
M1 (G) = [degG (u) + degG (v)]
uv∈E(G)
and
M2 (G) = degG (u)degG (v).
uv∈E(G)
Some properties of the Zagreb coindices of some graph operations are studied in [1].
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The Zagreb indices have been studied extensively. Many new reformulated and
extended versions of the Zagreb indices have been introduced, e.g. see [2, 4, 5, 8–14].
Let G = (V, E) be a graph, where V and E are the vertex and edge sets,
respectively. In this paper, by a word element in a graph G, we mean either a vertex
or an edge. Now, we define the first and second entire Zagreb indices as follows:
Definition 2.1. Let G = (V, E) be a graph. Then the first and second entire Zagreb
indices are defined by
M1E (G) = (deg(x))2 ,
x∈V (G)∪E(G)
and
M2E (G) = deg(x)deg(y).
x is either adjacent
or incident to y
2 2 2 2 2 2 2 2
= 1 + 3 + 2 + 2 + 2 + 3 + 2 + 3 = 44.
v1
u
e1
v2 u
e2 @ e4
@
e3 @
v3 v @u v4
Fig. 1. Graph G.
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(2)
M2E (G) = deg(x)deg(y)
x is either adjacent
or incident to y
According to Definition 2.1 and the definition of Zagreb indices, the first and
second entire Zagreb indices can be expressed in terms of the first and second Zagreb
indices as follows:
Theorem 2.3. For any graph G, the first and second entire Zagreb indices are
equal to
M1E (G) = 4q − 3M1 (G) + 2M2 (G) + (deg(u))3
u∈V (G)
and
1
M2E (G) = 4q − 2M1E (G) − 2M1 (G) + M2 (G) + (deg(u))4
2
u∈V (G)
+ (deg(u))2 deg(v)
u∈V (G) v∈N (u)
2
1
+ deg(v) .
2
u∈V (G) v∈N (u)
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Similarly,
M2E (G) = deg(x)deg(y)
x is either adjacent
or incident to y
= deg(u)deg(v) + deg(e1 )deg(e2 )
uv∈E(G) e1 e2 ∈E(L(G))
+ deg(v)deg(e)
v is incident to e
= M2 (G) + M2 (L(G)) + deg(u) deg(uv).
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Since,
1
M2 (L(G)) = deg(uv)
deg(uw) + deg(vz)
2
uv∈E(G) w∈N (u) z∈N (v)
w=v z=u
1
= 5M1 (G) − 3M2 (G) − 4q + [(deg(u))3 + (deg(v))3 ]
2
uv∈E(G)
1
+ deg(u)deg(v)[deg(u) + deg(v)]
2
uv∈E(G)
1
+ deg(uv)
deg(w) + deg(z)
2
uv∈E(G) w∈N (u) z∈N (v)
w=v z=u
5
− [(deg(u))2 + (deg(v))2 ]
2
uv∈E(G)
1
= 5M1 (G) − 6M2 (G) − 4q + (deg(u))3 (deg(u) − 5)
2
u∈V (G)
+ [(deg(u))2 + 1] deg(v)
u∈V (G) v∈N (u)
2
1
+ deg(v) − (deg(v))2
2
u∈V (G) v∈N (u) v∈N (u)
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1
= 8q − 3M1 (G) − 3M1E (G) + (deg(u))4
2
u∈V (G)
2
1
+ (deg(u)) 2
deg(v) + deg(v) ,
2
u∈V (G) v∈N (u) u∈V (G) v∈N (u)
2
3
where u∈V (G) v∈N (u) (deg(v)) = u∈V (G) (deg(u))
, and since,
deg(u) deg(uv) = 2M2 (G) − 2M1 (G) + [deg(u)]3
u∈V (G) v∈N (u) u∈V (G)
Now it is the turn to give some relations between the entire Zagreb indices and
entire Zagreb coindices:
Since,
M1 (G) = M1 (G) + 2(p − 1)(q − q),
and
1
M2 (G) = (2p − 3)M1 (G) − M2 (G) + (p − 1)2 (q − 2q) + 2q 2
2
by [1], and
(degG (u))3 = (p − 1 − deg(u))3 = p(p − 1)3 − 6q(p − 1)2
u∈V (G) u∈V (G)
+ 3(p − 1)M1 (G) − (deg(u))3
u∈V (G)
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1
M2E (G) = 4q − 2M1E (G) − 2M1 (G) + M2 (G) + (degG (u))4
2
u∈V (G)
2
1
+ (degG (u))2 degG (v) + degG (v) .
2
u∈V (G) v∈NG (u) u∈V (G) v∈NG (u)
So, by using
M1 (G) = M1 (G) + 2(p − 1)(q − q),
and
1
M2 (G) = (2p − 3)M1 (G) − M2 (G) + (p − 1)2 (q − 2q) + 2q 2 ,
2
from [1] together with Proposition 2.4 and applying the equalities
degG (w) = p − 1 − deg(w),
deg(v) = 2q − deg(u) − deg(v),
v∈NG (u) v∈N (u)
and
(deg(v))2 = M1 (G) − (deg(u))2 − (deg(v))2 ,
v∈NG (u) v∈N (u)
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kp
Proof. Clearly q = 2and also deg(uv) = 2k − 2 for each uv ∈ E(G). Thus,
M1E (G) = [deg(u) + deg(v) + (deg(uv))2 ]
uv∈E(G)
= pk(2k 2 − 3k + 2).
Since E(L(G)) = 12 M1 (G) − q = p2 k(k − 1), then
M2E (G) = M2 (G) + M2 (L(G)) + deg(u) deg(uv)
u∈V (G) v∈N (u)
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7 2
= pk 2k − k + 4k − 2 .
3
2
Proof. Let V (Pp ) = {v1 , v2 , . . . , vp } and E(Pp ) = {e1 , e2 , . . . , ep−1 }. Then the
degrees of all elements of Pp are equal to 2 except the elements v1 , e1 , vp , ep−1
which have degrees equal to one. Thus, by using the formula for the first Zagreb
index of Pp , we have
M1E (Pp ) = M1 (Pp ) + M1 (L(Pp )) = 4p − 6 + 4(p − 1) − 6 = 8(p − 2).
Now, for the second entire Zagreb index, if p = 3, it is easy to see that M2E (P3 ) = 11.
Suppose now, p ≥ 4. Then
M2E (Pp ) = 4(p − 2) + 4(p − 3) + 2 + 4 + 2(p − 3) · 4 = 2(8p − 19),
as deg(v1 )deg(e1 ) = deg(vp )deg(ep−1 ) = 1 and deg(v2 )deg(e1 ) = deg(vp−1 )deg
(ep−1 ) = 2.
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(1)
(2)
Sum (Join)
The join G1 +G2 of two graphs G1 and G2 with disjoint vertex sets |V (G1 )| = p1 ,
|V (G2 )| = p2 and edge sets |E(G1 )| = q1 , |E(G2 )| = q2 is the graph on the vertex set
V (G1 )∪V (G2 ) and the edge set E(G1 )∪E(G2 )∪{u1 u2 : u1 ∈ V (G1 ); u2 ∈ V (G2 )}.
Hence, the join of two graphs is obtained by connecting each vertex of one graph to
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each vertex of the other graph, while keeping all edges of both graphs. The degree
of any vertex v ∈ G1 + G2 is given by
degG1 (v) + p2 , if v ∈ V (G1 );
degG1 +G2 (v) =
degG2 (v) + p1 , if v ∈ V (G2 ).
First, we recall a result on the first and second Zagreb indices of the sum of two
graphs:
Proposition 4.1 ([8]). For any two graphs G1 and G2 with |V (G1 )| = p1 ,
|V (G2 )| = p2 and |E(G1 )| = q1 , |E(G2 )| = q2 , the first and second Zagreb indices
of G1 + G2 are given by
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Theorem 4.2. For any two graphs G1 and G2 with |V (G1 )| = p1 , |V (G2 )| = p2
and |E(G1 )| = q1 , |E(G2 )| = q2 , the first entire Zagreb index of G1 + G2 is given
by
M1E (G1 + G2 ) = M1E (G1 ) + M1E (G2 ) + 5[p2 M1 (G1 ) + p1 M1 (G2 )]
+ p1 p2 [(p1 + p2 )2 − 3(p1 + p2 ) + 4(q1 + q2 ) + 4]
+ 8(p21 q2 + p22 q1 + q1 q2 ) − 12(p1 q2 + p2 q1 ).
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Similarly, we have
Theorem 4.3. For any two graphs G1 and G2 with |V (G1 )| = p1 , |V (G2 )| = p2 and
|E(G1 )| = q1 , |E(G2 )| = q2 , the second entire Zagreb index of G1 + G2 is given by
M2E (G1 + G2 )
= M2E (G1 ) + M2E (G2 ) + 3[p2 M1E (G1 ) + p1 M1E (G2 )]
1 1
+ (13p22 + 4p1 p2 + 8q2 )M1 (G1 ) + (13p21 + 4p1 p2 + 8q1 )M1 (G2 )
2 2
1
+ p1 p2 [(p1 + p2 )3 − (p1 + p2 )(3(p1 + p2 ) − 4) − (p1 − 2)2 − (p2 − 2)2 ]
2
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Proof. We have,
1
+ (degG2 (u) + p1 )4 + (degG1 (u) + p2 )2
2
u∈V (G2 ) u∈V (G1 )
× (degG1 (v) + p2 ) + (degG2 (v) + p1 )
v∈NG1 (u) v∈V (G2 )
+ (degG2 (u) + p1 )2 (degG2 (v) + p1 )
u∈V (G2 ) v∈NG2 (u)
+ (degG1 (v) + p2 )
v∈V (G1 )
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2
1
+ (degG1 (v) + p2 ) + (degG2 (v) + p1 )
2
u∈V (G1 ) v∈NG1 (u) v∈V (G2 )
2
1
+ (degG2 (v) + p1 ) + (degG1 (v) + p2 ) .
2
u∈V (G2 ) v∈NG2 (u) v∈V (G1 )
By using Proposition 4.1, Theorem 4.2 and easy computations, the result is
obtained.
Proof. The proof is obtained by applying Theorems 4.2 and 4.3 on Kr,m = Kr +
Km .
Corona Product
The corona product G1 ◦ G2 of two graphs G1 and G2 , where |V (G1 )| = p1 ,
|V (G2 )| = p2 and |E(G1 )| = q1 , |E(G2 )| = q2 is the graph obtained by taking
|V (G1 )| copies of G2 and joining each vertex of the ith copy with vertex u ∈ V (G1 ).
Obviously, |V (G1 ◦ G2 )| = p1 (p2 + 1) and |E(G1 ◦ G2 )| = q1 + p1 (q2 + p2 ). It
follows from the definition of the corona product G1 ◦ G2 , the degree of each vertex
v ∈ G1 ◦ G2 is given by
degG1 (v) + p2 , if v ∈ V (G1 );
degG1 ◦G2 (v) =
degG2 (v) + 1, if v ∈ V (G2 ).
We recall the following well-known result to be used in Theorems 4.7 and 4.8:
Proposition 4.6. For any two graphs G1 and G2 with |V (G1 )| = p1 , |V (G2 )| = p2
and |E(G1 )| = q1 , |E(G2 )| = q2 , the first and second Zagreb indices of G1 ◦ G2 are
given by
(1) M1 (G1 ◦ G2 ) = M1 (G1 ) + p1 M1 (G2 ) + 4(p1 q2 + p2 q1 ) + p1 p2 (p2 + 1).
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Proof. We have,
M1E (G1 ◦ G2 ) = 4qG1 ◦G2 − 3M1 (G1 ◦ G2 ) + 2M2 (G1 ◦ G2 )
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+ (degG1 ◦G2 (u))3 .
u∈V (G1 ◦G2 )
Theorem 4.8. For any two graphs G1 and G2 with |V (G1 )| = p1 , |V (G2 )| = p2
and |E(G1 )| = q1 , |E(G2 )| = q2 , the second entire Zagreb index of G1 ◦ G2 is
given by
M2E (G1 ◦ G2 ) = M2E (G1 ) + p1 M2E (G2 ) + 3[p2 M1E (G1 ) + p1 M1E (G2 )]
1 1
+ (13p22 + 5p2 + 8q2 )M1 (G1 ) + (13p1 + 4p1 p2 + 8q1 )M1 (G2 )
2 2
1
+ p1 p2 (p32 − p22 + 5p2 + 4q2 (p2 + 1) − 3) + p1 q2 (2q2 − 5)
2
+ p2 q1 (6p22 − 7p2 + 12q2 ).
Proof. We have,
M2E (G1 ◦ G2 ) = 4qG1 ◦G2 − 2M1E (G1 ◦ G2 ) − 2M1 (G1 ◦ G2 )
1
+ (degG1 ◦G2 (u))4 + (degG1 ◦G2 (u))2
2
u∈V (G1 ◦G2 ) u∈V (G1 ◦G2 )
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× degG1 ◦G2 (v) + M2 (G1 ◦ G2 )
v∈NG1 ◦G2 (u)
2
1
+ degG1 ◦G2 (v)
2
u∈V (G1 ◦G2 ) v∈NG1 ◦G2 (u)
1
+ p1 (degG2 (u) + 1)4 + (degG1 (u) + p2 )2
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2
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By using Proposition 4.6, Theorem 4.7 and simple computations the result is
obtained.
We now give two applications of this result by calculating the first and second
entire Zagreb indices of the Corona product of two cycle graphs and one cycle
graph together with one path graph. As the calculations are straightforward, we
omit them:
Example 4.9. For any cycle Cp1 and any path Pp2 with p2 ≥ 3,
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Acknowledgment
Ismail Naci Cangul was supported by Uludag University Research Fund, Project
No. F-2015/17.
References
Discrete Math. Algorithm. Appl. Downloaded from www.worldscientific.com
[1] A. R. Ashrafi, T. Došlić and A. Hamzeh, The Zagreb coindices of graph operations,
by UNIVERSITY OF AUCKLAND on 04/08/18. For personal use only.
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