1. Introduction
Molecular descriptors called topological indices have been investigated because of their numerous applications. Topological indices are graph invariants which play a significant role in chemistry, pharmaceutical sciences, materials science and engineering, since they can be correlated with many physico-chemical properties of molecules. We use graph theory to characterize these chemical structures.
We consider connected graphs without loops and multiple edges. The vertex set and the edge set of a graph G are denoted by and , respectively. We use the vertices and edges of G for the representation of the atoms and bonds of chemical structures. The order n is the number of vertices of a graph G and the size m is the number of edges of G. The number of edges incident with a vertex is called the degree . A vertex of degree one is a pendant vertex. A bicyclic graph is a connected graph with edges, a tricyclic graph is a connected graph with edges and a tetracyclic graph is a connected graph with edges (and n vertices). The symbols and denote the path and complete graph of order n, respectively. Let be the cycle with and .
Multiplicative Zagreb indices have been extensively studied. Sharp upper and lower bounds on the multiplicative Zagreb indices for trees of given number of vertices with maximum degree were presented by Wang et al. [
1], sharp upper and lower bounds for trees, unicyclic graphs and bicyclic graphs with given order were given by Xu and Hua [
2], tight bounds for unicyclic graphs of given order and number of pendant vertices/diameter/
k-cycle were presented by Alfuraidan, Balachandran and Vetrík [
3], tight upper bounds for graphs of prescribed order and size were obtained by Liu and Zhang [
4], bounds for graphs with prescribed number of bridges were given by Wang et al. [
5], molecular graphs were considered by Kazemi [
6] and derived graphs were investigated by Basavanagoud and Patil [
7]. Bounds on the total multiplicative sum Zagreb index and first multiplicative sum Zagreb coindex for unicyclic and bicyclic graphs were presented by Božović, Vukićević and Popivoda [
8]. Reformulated Zagreb indices were investigated Liu et al. [
9] and De, Nayeem and Pal [
10].
Recently, Vetrík and Balachandran [
11] generalized multiplicative Zagreb indices by introducing the first and second general multiplicative Zagreb indices of a graph
G,
and
, respectively.
and
where
,
. Note that
is the Narumi-Katayama index,
is the first multiplicative Zagreb index and
is the second multiplicative Zagreb index. These indices are special cases of our general indices. A lot of research has been done on these special cases and the importance of our general indices is that any result on the general multiplicative Zagreb indices yields results also for the first and second multiplicative Zagreb indices and for the Narumi-Katayama index.
We study graphs with a small number of cycles which are particularly important in chemistry, since they can represent chemical structures. Our work is motivated by the paper of Zhao and Li [
12] who presented bounds on the Zagreb indices for bicyclic graphs of given order and number of pendant vertices. In
Section 3, we use our new methods to obtain lower and upper bounds on the general multiplicative Zagreb indices for bicyclic graphs of order
n with
k pendant vertices. Then in
Section 4, we generalize our techniques and present bounds for
and
indices of tricyclic graphs, tetracyclic graphs and graphs of given order, size and number of pendant vertices. In
Section 2,
Section 3 and
Section 4, we consider the case
and in
Section 5 we give similar results for
. We show that all our bounds are best possible by presenting extremal graphs. The cases
for tricyclic graphs and
for bicyclic graphs are particularly interesting.
2. Preliminary Results
Let
be the degree sequence with
. Let us define
If there exists a graph
G having the vertices with degrees
, then the sequence
X is graphical and therefore
and
.
The following lemma and corollaries about degree sequences will be used to prove some results in
Section 3 and
Section 4.
Lemma 1. Let X and be the degree sequences which differ in two coordinates, where are in X and are in , with and . For we obtain and .
Proof. Let
. We get
because
. Moreover,
because
,
and
. Thus
and
. □
Corollary 1. Let and X be the degree sequence with the smallest index (the largest index), where coordinates of X are 1 and for some . Then .
Proof. Let us show by contradiction that the degree sequence X having the smallest index (the largest index) contains at most one coordinate which is at least 3.
Suppose that X is the sequence having the smallest index (the largest index) with at least two coordinates being at least 3. Then , , with and . From Lemma 1, , has smaller index (larger index). Thus X is not the sequence having the smallest index (the largest index).
So . We have , hence . □
Corollary 2. Let and X be the degree sequence with the largest index (the smallest index), where coordinates are 1 and for some . Then , with for .
Proof. Let be the degree sequence with the largest index (the smallest index), where k coordinates are 1. We have , so we need to prove that .
Assume that . From Lemma 1, there is a sequence such containing and having larger index (smaller index), a contradiction. □
We will also use a very known equality relating the degrees and the number of edges
m of a graph
G,
3. Bicyclic Graphs with Given Number of Pendant Vertices
Let us present bounds on the general multiplicative Zagreb indices for bicyclic graphs of given order and number of pendant vertices. Since at least 4 vertices are contained in two cycles, those vertices are not pendant. Thus for the number k of pendant vertices in a bicyclic graph we have .
Theorem 1. Let G be any bicyclic graph of order n with k pendant vertices, where . For we haveandThe equalities hold if and only if G has the degree sequence , , , where . Proof. Let G be any bicyclic graph of order n with k pendant vertices. Thus G contains k vertices having degree one. From Corollary 2, the degree sequence with the largest index (the smallest index) is with .
Thus we can suppose that
or
, where
and
. We denote the number of coordinates in
X which are
i by
. So
Then
Obviously
, thus we can suppose that
. Since every bicyclic graph has
edges, from (
1) we obtain
From (
2) and (
3), we get
, which gives
. By (
2) we obtain
, thus
. Therefore,
Hence
with
.
Let us prove that there exists a graph
with the degree sequence
X. Let
be a graph which contains the cycle
, also the edge
and
k pendant vertices are attached to the vertices of
C in such a way that the degrees of any two vertices in
C differ by at most 1. Then
and
The proof is complete. □
Example 1. If and , then in Theorem 1 we get and the extremal bicyclic graphs have the degree sequence . The example of a graph with this degree sequence is given in Figure 1. Let
be the graph of order
n which contains one vertex, say
v, adjacent to all the other
vertices and one of those
vertices is adjacent to two other neighbours of
v. Let
be the bicyclic graph containing two cycles of length 3 which have one vertex, say
v, in common, and
v is adjacent to
k pendant vertices. So
has
vertices; see
Figure 2. Let
be the set containing all the graphs which can be obtained from
by
consecutive subdivisions of any edges. Note that one particular edge of
can be subdivided many times, once or zero times in the process of obtaining a graph in
. Those subdivisions yield
vertices of degree 2, so every graph in
has
vertices of degree 2.
Theorem 2. Let and G be any bicyclic graph of order n with k pendant vertices.
If , thenThe equalities hold if and only if G is any graph in . If , thenThe equalities hold if and only if G is . Proof. Let G be any bicyclic graph of order n with k pendant vertices. Then G contains k vertices having degree one. From Corollary 1, the degree sequence with the smallest index (the largest index) is .
For
, the only graphs with the sequence
are the graphs in the set
. Therefore, the graphs
are the bicyclic graphs with the smallest
index (the largest
index). We get
For
, obviously there is no graph with the degree sequence
,
. From Corollary 1 we know that the degree sequence with the second smallest
index (the second largest
index) is
. The only graph with this sequence is
, so the bicyclic graph with the smallest
index (the largest
index) is
. Hence
The proof is complete. □
Example 2. If , then the extremal bicyclic graph for Theorem 2 is the graph . If , then is the extremal bicyclic graph; see Figure 2. 4. Graphs with Given Number of Pendant Vertices and Small Number of Edges
Bicyclic graphs are connected graphs with edges, tricyclic graphs are connected graphs with edges and tetracyclic graphs are connected graphs with edges (and n vertices). In this section we study graphs with edges for small .
We define some tricyclic graphs of order
n. Let
be the graph which contains one vertex of degree
and the subgraph induced by all the other vertices contains
,
and
isolated vertices (pendant vertices of
). Let
contain one vertex of degree
and the subgraph induced by the other
vertices contains a star with 3 edges and
isolated vertices. Let
be the graph which contains
and one of the vertices of that
is adjacent to
pendant vertices; see
Figure 3.
Let
be the tricyclic graph containing 3 cycles of length 3 which have one vertex, say
v, in common, and
v is adjacent to
k pendant vertices. So
has
vertices; see
Figure 3. Let
be the set containing all the graphs which can be obtained from
by
consecutive subdivisions of any edges of
.
Since at least 4 vertices are contained in a graph with more than one cycle, those vertices are not pendant. Thus for the number k of pendant vertices in a tricyclic graph we get .
Theorem 3. Let and G be any tricyclic graph of order n and k pendant vertices.
If , thenThe equalities hold if and only if G is in . If , thenThe equalities hold if and only if G is . If , thenThe equalities hold if and only if G is . If , thenThe equalities hold if and only if G is . Proof. Let G be any tricyclic graph of order n and k pendant vertices. Thus G contains k vertices having degree one. From Corollary 1, the degree sequence with the smallest index (the largest index) is .
For
, the only graphs with the sequence
are the graphs in the set
. Therefore, the graphs
are the tricyclic graphs with the smallest
index (the largest
index). Thus
and
For
, obviously there is no graph with the degree sequence
,
. From Corollary 1 we know that the sequence with the second smallest
index (the second largest
index) is
. The graph
is the only graph with this sequence, thus the tricyclic graph with the smallest
index (the largest
index) is
. Hence
For
, there is no graph with the degree sequence
,
. Note that the degree of every vertex is at most
. The degree sequences of the form
satisfying
are
and
. From Lemma 1 we know that
and
. The graph
is the only graph with the degree sequence
, thus the tricyclic graph with the smallest
index (the largest
index) is
. Therefore,
and
For
, the only tricyclic graph with a vertex of degree
and
pendant vertices is
and the degree squence of this graph is
. Hence
and
The proof is complete. □
Example 3. If , then the extremal tricyclic graph for Theorem 3 is the graph . If , then is the extremal tricyclic graph, if , then is the extremal graph and if , then is the extremal graph; see Figure 3. For any let be the graph containing cycles of length 3 which have one vertex, say v, in common, and v is adjacent to k pendant vertices. So has vertices. Let be the set containing all the graphs which can be obtained from by consecutive subdivisions of any edges. Note that one particular edge of can be subdivided many times, once or zero times in the process of obtaining a graph in . Those subdivisions yield vertices of degree 2, so every graph in has vertices of degree 2.
The following bound holds for which follows from the inequality presented in Theorem 4.
Theorem 4. Let G be any graph of order n and size with k pendant vertices, where and . For we haveThe equalities hold if and only if G is in . Proof. Let
G be any graph of order
n and size
with
k pendant vertices. Thus
G contains
k vertices having degree one. From Corollary 1 we know that the degree sequence with the smallest
index (the largest
index) is
. The only graphs with this sequence are the graphs in the set
. Therefore, all the graphs
are the graphs with the smallest
index (the largest
index). Hence
and
The proof is complete. □
Note that if , Theorem 4 gives bounds also for graphs of given order and size which do not contain pendant vertices. From this general Theorem 4, we can obtain the first statements of Theorems 2 and 3. Since a tetracyclic graph is a connected graph with edges, using in Theorem 4, we obtain the following theorem for tetracyclic graphs.
Theorem 5. Let G be any tetracyclic graph of order n with k pendant vertices, where . For we obtainThe equalities hold if and only if G is in . Example 4. If and , then the extremal graph for Theorems 4 and 5 is the tetracyclic graph ; see Figure 4. Let us bound the number of edges in a graph with k pendant vertices. If G has k pendant vertices, these vertices yield k edges. The subgraph of G induced by all the other vertices has at most edges, therefore G has at most edges. Now we generalize Theorem 1.
Theorem 6. Let G be any graph of order n, size having k pendant vertices, where , and . For we haveandThe equalities hold if and only if G has the degree sequence , , , where . Proof. Let G be a graph of order n, size having k pendant vertices. Then G contains k vertices having degree one. From Corollary 2, the degree sequence with the largest index (the smallest index) is with .
Thus we can suppose that
or
, where
and
. We denote the number of coordinates in
X being
i by
. So
,
. Therefore,
Obviously
, thus we can suppose that
. Since we study graphs with
edges, from (
1) we get
From (
4) and (
5), we have
, thus
. By (
4), we obtain
, thus
. Then
Hence
such that
.
Let us prove that there exists a graph
with the sequence
X. Let
be a graph containing the cycle
, also
edges between some vertices in
C and
k pendant vertices are attached to the vertices of
C in such a way that the degrees of any two vertices in
C differ by at most 1. Then
and
The proof is complete. □
Proofs of the following two theorems can be easily obtained when using and in the proof of Theorem 6.
Theorem 7. Let G be any tricyclic graph of order n having k pendant vertices, where . Then for ,andThe equalities hold if and only if G has the degree sequence , , , where . Note that any tetracyclic graph has at most pendant vertices.
Theorem 8. Let G be any tetracyclic graph of order n having k pendant vertices, where . For we haveandThe equalities hold if and only if G has the degree sequence , , , where . Example 5. If and , then in Theorem 7 we get and the extremal tricyclic graphs have the degree sequence . If and , then in Theorem 8 we get and the extremal tetracyclic graphs have the degree sequence . The examples of graphs with these degree sequences are given in Figure 5. These cases are special cases of Theorem 6 for and . 5. Bounds for
In the proof of Lemma 1 for and , we obtain . Moreover, for and , we get .
Obviously, represents for . All the terms in and are greater than zero, thus y and are greater than zero.
Let us give a lemma for . A proof is analogous to the proof of Lemma 1 since for and , we have . Similarly, for and , we obtain .
Lemma 2. Let X and be the degree sequences which differ in two coordinates, where are in X and are in , with and . For we obtain and .
Lemma 2 and results similar to Corollaries 1 and 2 can be used to get the following results for .
Theorem 9. Let G be any graph of order n and size with k pendant vertices, where and . For we haveThe equalities hold if and only if G is in . Theorem 10. Let G be any graph of order n, size having k pendant vertices, where , and . For we haveandThe equalities hold if and only if G has the degree sequence , , , where . Finally, we present bounds for bicyclic, tricyclic and tetracyclic graphs.
Theorem 11. Let and G be any bicyclic graph of order n with k pendant vertices.
If , thenThe equalities hold if and only if G is any graph in . If , thenThe equalities hold if and only if G is . Theorem 12. Let and G be any tricyclic graph of order n and k pendant vertices.
If , thenThe equalities hold if and only if G is in . If , thenThe equalities hold if and only if G is . If , thenThe equalities hold if and only if G is . If , thenThe equalities hold if and only if G is . Theorem 13. Let G be any tetracyclic graph of order n with k pendant vertices, where . For we obtainThe equalities hold if and only if G is in . Theorem 14. Let G be any bicyclic graph of order n with k pendant vertices, where . For we haveandThe equalities hold if and only if G has the degree sequence , , where . Theorem 15. Let G be any tricyclic graph of order n having k pendant vertices, where . Then for ,andThe equalities hold if and only if G has the degree sequence , , where . Theorem 16. Let G be any tetracyclic graph of order n having k pendant vertices, where . For we haveandThe equalities hold if and only if G has the degree sequence , , , where . 6. Conclusion
In this paper, we used our new methods to obtain lower and upper bounds on the general multiplicative Zagreb indices for bicyclic graphs of given order and number of pendant vertices. Then we generalized our techniques and presented bounds for and indices of tricyclic graphs, tetracyclic graphs and graphs of given order, size and number of pendant vertices. We showed that all our bounds are sharp by presenting extremal graphs. Let us note that bounds for the classical multiplicative Zagreb indices are special cases of our results.