EUROPEAN JOURNAL OF PURE AND APPLIED MATHEMATICS Vol. 13, No. 5, 2020, 1260-1269 ISSN 1307-5543 – www.ejpam.com Published by New York Business Global Special Issue Dedicated to Professor Hari M. Srivastava On the Occasion of his 80th Birthday Harmonic Index and Zagreb Indices of Vertex-Semitotal Graphs Aysun Yurttas Gunes1, Muge Togan1, Musa Demirci1,∗, Ismail Naci Cangul1 1 Department of Mathematics, Bursa Uludag University, 16059 Bursa, Turkey Abstract. Graph theory is one of the rising areas in mathematics due to its applications in many areas of science. Amongst several study areas in graph theory, spectral graph theory and topological descriptors are in front rows. These descriptors are widely used in QSPR/QSAR studies in mathematical chemistry. Vertex-semitotal graphs are one of the derived graph classes which are useful in calculating several physico-chemical properties of molecular structures by means of molecular graphs modelling the molecules. In this paper, several topological descriptors of vertex- semitotal graphs are calculated. Some new relations on these values are obtained by means of a recently defined graph invariant called omega invariant. 1. Introduction Several topological graph indices have been defined and studied by many mathemati- cians and chemists. They are defined as topological graph invariants measuring several physical, chemical, pharmacological, pharmaceutical, biological, etc. properties of graphs which are modelling real life situations. They can be grouped mainly into three classes according to the way they are defined: by vertex degrees, by matrices or by distances. We consider degree based-topological indices of some derived graphs through this paper. Let G = (V,E) be a simple graph with | V (G) |= n vertices and | E(G) |= m edges, where V (G) = {v1, v2, · · · , vn} and E(G) = {vivj : vi, vj ∈ V (G)}. That is, we do not ∗Corresponding author. DOI: https://doi.org/10.29020/nybg.ejpam.v13i5.3725 Email addresses: ayurttas@uludag.edu.tr (A. Yurttas Gunes), capkinm@uludag.edu.tr (M. Togan), mdemirci@uludag.edu.tr (M. Demirci), cangul@uludag.edu.tr (I. N. Cangul) https://www.ejpam.com 1260 c© 2020 EJPAM All rights reserved. M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1261 allow loops or multiple edges. For any vertex v ∈ V (G), we denote the degree of v by dG(v) or dv. If vi and vj are adjacent vertices of G, and if the edge e connects them, this situation will be denoted by e = vivj . In such a case, the vertices vi and vj are called adjacent vertices and the edge e is said to be incident to vi and vj . Adjacency and incidency play a very important role in the spectral graph theory, the sub area of graph theory dealing with linear algebraic study of graphs. The smallest and biggest vertex degrees in a graph will be denoted by δ and ∆, respectively. Written with multiplicities, a degree sequence in general is written as D = {1(a1), 2(a2), 3(a3), · · · ,∆(a∆)}. Let D be a set of some non-decreasing non-negative integers. We say that a graph G is a realization of the set D if the degree sequence of G is equal to D. Definition 1. [7] Let D = {1(a1), 2(a2), 3(a3), · · · ,∆(a∆)} be a realizable degree sequence and G be one of its realizations. The Ω(G) of G is defined in terms of the degree sequence as Ω(G) = a3 + 2a4 + 3a5 + · · ·+ (∆− 2)a∆ − a1 = ∆∑ i=1 ai(i− 2). A vertex-semitotal graph T1(G) is constructed fromG by inserting a new vertex for each edge of G and then by joining every inserted vertex to the end vertices of the corresponding edge, that is, by replacing each edge by a triangle. See Fig. 1. Thus |V (T1)| = |V (G)|+ |E(G)| = n+m and |E(T1)| = |E(S)|+ |E(G)| = 2m+m = 3m. Two of the most important topological graph indices are called the first and second Zagreb indices denoted by M1(G) and M2(G), respectively: M1(G) = ∑ u∈V (G) d2 G(u) and M2(G) = ∑ uv∈E(G) dG(u)dG(v). (1) They were first defined in 1972 by Gutman and Trinajstic, [12], and are referred to due to their uses in QSAR and QSPR studies. In [4], some results on the first Zagreb index together with some other indices are given. For some graph operations, these indices are calculated in [5, 14, 17]. The F -index or forgotten index of a graph G denoted by F (G) or M3(G) is defined as F (G) = ∑ u∈V (G) d3 G(u). (2) M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1262 Figure 1 The vertex-semitotal graph T1(G) of T3,2 It was first appeared in the study of structure-dependency of total π-electron energy in 1972, [12]. Recently, this sum was named as the forgotten index or the F -index by Furtula and Gutman, [10]. The hyper-Zagreb index was defined as a variety of the classical Zagreb indices as HM(G) = ∑ uv∈E (du + dv) 2, (3) see e.g. [10]. Inspired by the study of heat of formation for heptanes and octanes, in [9] Furtula et al. proposed an index called Augmented Zagreb index which gives a better prediction power. It is defined by AZI(G) = ∑ uv∈E(G) ( dudv du + dv − 2 )3 . (4) The Harmonic index was introduced by Zhong [19] who found that it correlates well with Π-electron energy of benzenoid hydrocarbons and defined as H(G) = ∑ uv∈E(G) 2 du + dv . (5) Ranjini et al., [16], introduced the re-defined Zagreb indices, i.e. the redefined first, M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1263 second and third Zagreb indices for a graph G and these are defined as ReZG1(G) = ∑ uv∈E(G) du + dv du · dv , (6) ReZG2(G) = ∑ uv∈E(G) du · dv du + dv , (7) ReZG3(G) = ∑ uv∈E(G) (du · dv)(du + dv). (8) Milicevic et al., [15], reformulated the Zagreb indices in terms of the edge degrees instead of the vertex-degrees as EM1(G) = ∑ e=uv∈E(G) d(e)2 and EM2(G) = ∑ e f∈E(G) dG(e)dG(f). (9) Aram and Dehgardi, [1], introduced the concept of reformulated F-index as RF (G) = ∑ e=uv∈E(G) d(e)3. (10) Eliasi et. al. [8] introduced the multiplicative sum Zagreb index of G which is denoted by∏∗ 1(G) and defined by ∏∗ 1 (G) = ∏ uv∈E(G) (dG(u) + dG(v)). (11) Xu et. al. [18] introduced the total multiplicative sum Zagreb index of a graph G denoted by ∏T (G) and defined by∏T (G) = ∏ u,v∈V (G) (dG(u) + dG(v)). (12) Topological indices of some derived graphs, as subdivision, total, semitotal, line, par- aline graphs are studied in [2] and [13]. In this paper, we examine some degree-based topological indices of vertex-semitotal graph which also is one of the derived graphs, and find relations between these topological indices. 2. Main Results We first recall some results on the topological indices of the vertex-semitotal graphs: Proposition 1. [11] Let T1(G) be the vertex-semitotal graph of the graph G of order n = n(G) and size m = m(G). Then M1(T1(G)) = 4M1(G) + 4m(G). M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1264 Theorem 1. [2] Let G be a graph of order n = n(G) and size m = m(G). Then M2(T1(G)) = 2EM1(G) + EM2(G) + 2M1(G) +M2(G) + F (G)− 4m(G). Proposition 2. [6] Let G be a graph of order n = n(G) and size m = m(G). Then F (T1(G)) = 8F (G) + 8m(G). Theorem 2. [13] If T1(G) is a vertex-semitotal graph of G of order n = n(G) and size m = m(G). Then EM1(T1(G)) = 8(F (G)−M1(G) +M2(G)) + 4m(G) and EM2(T1(G)) = 1 3 ( 14(4M1(G)) + 4EF (G) + 68m(G) ) + 4EM2(G) + 6F (G)− 30M1(G) + 28M2(G) where αM1(G) = ∑ v∈V (G) d(v)α and EF (G) is the reformulated forgotten index. Theorem 3. [3] Let G be a graph of order n = n(G) and size m = m(G). Then∏ 1 (T1(G)) = ∏ 1 (G) [∏∗ 1 (G) ]2 . and ∏ 2 (T1(G)) = ∏ 2 (G) ∏∗ 2 (G). Now we will determine some well-known Zagreb indices of vertex-semitotal graph of G. Lemma 1. Let G be a connected simple graph of order n = n(G) and size m = m(G) and let T1(G) be the vertex-semitotal graph of G. Then, Ω(T1(G))− Ω(G) = 2m(G). The proof is clear from the definition of Ω invariant of G. Theorem 4. Let G be a graph with order n = n(G) and size m = m(G). Then the hyper Zagreb index of T1(G) is HM(T1(G)) = 4 (2M1(G) + F (G) +HM(G) + 2m(G)) . Proof. By Eqn. (3), we have HM(T1(G)) = ∑ vivj∈E(T1(G)) [ dT1(G)(vi) + dT1(G)(vj) ]2 M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1265 = ∑ vivj∈E(G) [ dT1(G)(vi) + dT1(G)(vj) ]2 + ∑ vicij∈E(T1(G)) [ dT1(G)(vi) + 2 ]2 = 4 ∑ vivj∈E(G) (dG(vi) + dG(vj)) 2 + 4 ∑ vi∈V (G) (1 + dG(vi)) 2dG(vi), and the result follows. Theorem 5. Let G be a graph with order n = n(G) and size m = m(G). Then augmented Zagreb index of T1(G) is AZI(T1(G)) = 8 ∑ vivj∈E(G) ( dG(vi)dG(vj) dG(vi) + dG(vj)− 1 )3 + 16m(G). Proof. Using Eqn.(4), we get AZI(T1(G)) = ∑ vivj∈E(G) ( dT1(G)(vi) · dT1(G)(vj) dT1(G)(vi) + dT1(G)(vj)− 2 )3 + ∑ vicij∈E(T1(G)) ( 2.2dG(vi) 2 + 2dG(vi)− 2 )3 dG(vi) = ∑ vivj∈E(G) ( 2dG(vi) · 2dG(vj) 2dG(vi) + 2dG(vj)− 2 )3 + 8 ∑ vi∈V (G) dG(vi), and the result follows. Theorem 6. Let G be a graph with order n = n(G) and size m = m(G). Re-defined versions of Zagreb indices of T1(G) are i) ReZG1(T1(G)) = 1 2 (ReZG1(G) + n(G)) +m(G). ii) ReZG2(T1(G)) = 2 [ ReZG2(G) + ∑ u∈V (G) d2 G(vi) 1+dG(vi) ] . iii) ReZG3(T1(G)) = ReZG3(G) + 8 (M1(G) + F (G)) +m(G). Proof. From Eqn. (6), we have ReZG1(T1(G)) = ∑ vivj∈E(T1(G)) dT1(G)(vi) + dT1(G)(vj) dT1(G)(vi) · dT1(G)(vj) = ∑ vivj∈E(G) 2dG(vi) + 2dG(vj) 2dG(vi) · 2dG(vj) + ∑ vicij∈E(T1(G)) 2 + 2dG(vi) 2 · 2dG(vi) · dG(vi) M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1266 = 1 2 ∑ vivj∈E(G) dG(vi) + dG(vj) dG(vi) · dG(vj) + 1 2 ∑ vi∈V (G) (1 + dG(vi)), and the result follows. Using Eqns.(7) and (8), we get the results for (ii) and (iii) by similar methods. Theorem 7. Let G be a graph with order n = n(G) and size m = m(G). Reformulated forgotten index of T1(G) is RF (T1(G)) = 8 ( 2M4(G) + 3ReZG3(G)−m(G) ) − 24 (F (G) + 2M2(G)−M1(G)) . Proof. For vertex-semitotal graph T1(G) of a graph G, there are two types of vertices: Firstly, the vertices corresponding to the vertices of G, secondly, the vertices corresponding to the edges of G. We will denote them vi and cij , respectively. Depending on the nature of end vertices, we can divide the edges of T1 into two types: i) vivj-edge: an edge between two vertices in G. ii) vicij-edge: an edge between the vertices of G and the vertices corresponding to the edges of G. Using Eqn. (9), we have RF (T1(G)) = ∑ e∈E(T1(G)) (de) 3 = ∑ evivj∈E(T1) dT1(evivj ) 3 + ∑ evicij∈E(T1) dT1(evicij ) 3 = ∑ vivj∈E(T1) [dT1(vi) + dT1(vj)− 2]3 + ∑ vicij∈E(T1) [dT1(vi) + dT1(cij)− 2]3. For vicij-edges in the second term, it is clear that every vi vertex of T1(G) is connected with dG(vi) cij vertices, each of degree 2. Therefore, corresponding to every vertex vi in G, there are dG(vi) edges in T1 each of edge degree [2dG(vi) + 2− 2]. So, RF (T1(G)) = ∑ vivj∈E(G) [2dG(vi) + 2dG(vj)− 2]3 + ∑ vi∈V (G) dG(vi)[2dG(vi) + 2− 2]3 = 8  ∑ vivj∈E(G) (d3 G(vi) + d3 G(vj)) + 3 ∑ vivj∈E(G) dG(vi)dG(vj)(dG(vi) + dG(vj))  − 6 ∑ vivj∈E(G) (2dG(vi) + dG(vj)) 2 + 12 ∑ vivj∈E(G) (2dG(vi) + dG(vj)) − ∑ vivj∈E(G) 8 + 8 ∑ vi∈V (G) d4 G(vi) = 8 [ M4(G) + 3ReZG3(G)−m(G) ] − 24 [F (G) + 2M2(G)−M1(G)] . M. Demirci et al. / Eur. J. Pure Appl. Math, 13 (5) (2020), 1260-1269 1267 Theorem 8. Let G be a graph of order n = n(G) and size m = m(G). Multiplicative sum Zagreb index of T1(G) is∏∗ 1 (T1(G)) = 4 ∏∗ 1 (G) ∏ vi∈V (G) (1 + dG(vi)). Proof.∏∗ 1 (T1(G)) = ∏ vivj∈E(T (G)) (dT (G)(vi) + dT (G)(vj)) = ∏ vivj∈E(G) (dT (G)(vi) + dT (G)(vj)) · ∏ vicij∈E(T (G)) (2 + dT (G)(vi)) = ∏ vivj∈E(G) (2dG(vi) + 2dG(vj)) · 2 ∏ vicij∈E(T (G)) (1 + dG(vi)) and the result follows. Theorem 9. Let G be a graph of order n = n(G) and size m = m(G). Total multiplicative sum Zagreb index of T1(G) is∏T (T1(G)) = 2m(G)2+1 ∏T (G) ∏ vi∈V (G) (1 + dG(vi)) m(G). Proof. From the definition of ∏T (G), we have∏T (T1(G)) = ∏ vi,vj∈V (T (G)) (dT (G)(vi) + dT (G)(vj)) = ∏ vi,vj∈V (G) (2d(G)(vi) + 2d(G)(vj)) · ∏ vi,cij∈V (T (G)) (2 + 2d(G)(vi)) m(G) · ∏ cij ,ckt∈V (S(G)) (2 + d(G)(vi)) = 2 ∏T (G) · 2m ∏ vi∈V (G) (1 + dG(vi)) m(G) · 4(m(G) 2 ) and the result follows. 3. Conclusions In this paper, we obtained the formulae for the topological indices, especially the Zagreb indices and harmonic index, of some class of derived graphs called vertex-semitotal graphs. 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