Estimating the Laplacian Energy-Like Molecular Structure Descriptor

2012 ◽  
Vol 67 (6-7) ◽  
pp. 403-406 ◽  
Author(s):  
Ivan Gutman
Keyword(s):  
Molecular Structure ◽  
Spanning Trees ◽  
Molecular Graph ◽  
Upper Bounds ◽  
Lower And Upper Bounds ◽  
Laplacian Energy ◽  
Number Of Spanning Trees ◽  
Structure Descriptor ◽  
Better Than

Lower and upper bounds for the Laplacian energy-like (LEL) molecular structure descriptor are obtained, better than those previously known. These bonds are in terms of number of vertices and edges of the underlying molecular graph and of graph complexity (number of spanning trees)

Estimating the Vertex PI Index

2010 ◽  
Vol 65 (3) ◽  
pp. 240-244 ◽  
Author(s):  
Kinkar Ch Das ◽  
Ivan Gutman
Keyword(s):  
Molecular Structure ◽  
Upper Bounds ◽  
Lower And Upper Bounds ◽  
Pi Index ◽  
Structure Descriptor

The vertex PI index is a distance-based molecular structure descriptor, that recently found numerous chemical applications. Lower and upper bounds for PI are obtained, as well as results of Nordhaus-Gaddum type. Also a relation between the Szeged and vertex PI indices is established

On the Kirchhoff Index of Graphs

2013 ◽  
Vol 68 (8-9) ◽  
pp. 531-538 ◽  
Author(s):  
Kinkar C. Das
Keyword(s):  
Connected Graph ◽  
Maximum Degree ◽  
Spanning Trees ◽  
Upper Bounds ◽  
Type Result ◽  
Lower And Upper Bounds ◽  
Kirchhoff Index ◽  
Laplacian Eigenvalues ◽  
Number Of Spanning Trees

Let G be a connected graph of order n with Laplacian eigenvalues μ1 ≥ μ2 ≥ ... ≥ μn-1 > mn = 0. The Kirchhoff index of G is defined as [xxx] In this paper. we give lower and upper bounds on Kf of graphs in terms on n, number of edges, maximum degree, and number of spanning trees. Moreover, we present lower and upper bounds on the Nordhaus-Gaddum-type result for the Kirchhoff index.

scholarly journals Some Extremal Graphs with Respect to Sombor Index

Mathematics ◽  
2021 ◽  
Vol 9 (11) ◽  
pp. 1202
Author(s):  
Kinkar Chandra Das ◽  
Yilun Shang
Keyword(s):  
Molecular Structure ◽  
Chromatic Number ◽  
Clique Number ◽  
Upper Bounds ◽  
Extremal Graphs ◽  
Lower And Upper Bounds ◽  
Graph Parameters ◽  
Structure Descriptor

Let G be a graph with set of vertices V(G)(|V(G)|=n) and edge set E(G). Very recently, a new degree-based molecular structure descriptor, called Sombor index is denoted by SO(G) and is defined as SO=SO(G)=∑vivj∈E(G)dG(vi)2+dG(vj)2, where dG(vi) is the degree of the vertex vi in G. In this paper we present some lower and upper bounds on the Sombor index of graph G in terms of graph parameters (clique number, chromatic number, number of pendant vertices, etc.) and characterize the extremal graphs.

scholarly journals Properties of Commuting Graphs over Semidihedral Groups

Symmetry ◽  
2021 ◽  
Vol 13 (1) ◽  
pp. 103
Author(s):  
Tao Cheng ◽  
Matthias Dehmer ◽  
Frank Emmert-Streib ◽  
Yongtao Li ◽  
Weijun Liu
Keyword(s):  
Spanning Trees ◽  
Laplacian Spectrum ◽  
Vertex Connectivity ◽  
Laplacian Energy ◽  
Number Of Spanning Trees

This paper considers commuting graphs over the semidihedral group SD8n. We compute their eigenvalues and obtain that these commuting graphs are not hyperenergetic for odd n≥15 or even n≥2. We further compute the Laplacian spectrum, the Laplacian energy and the number of spanning trees of the commuting graphs over SD8n. We also discuss vertex connectivity, planarity, and minimum disconnecting sets of these graphs and prove that these commuting graphs are not Hamiltonian.

Laplacian Energy of Digraphs and a Minimum Laplacian Energy Algorithm

2015 ◽  
Vol 26 (03) ◽  
pp. 367-380 ◽  
Author(s):  
Xingqin Qi ◽  
Edgar Fuller ◽  
Rong Luo ◽  
Guodong Guo ◽  
Cunquan Zhang
Keyword(s):  
Oriented Graph ◽  
Laplacian Matrix ◽  
Upper Bounds ◽  
Spectral Graph Theory ◽  
Extremal Graphs ◽  
Lower And Upper Bounds ◽  
Spectral Graph ◽  
Laplacian Energy ◽  
Energy Formula ◽  
Matrix Formula

In spectral graph theory, the Laplacian energy of undirected graphs has been studied extensively. However, there has been little work yet for digraphs. Recently, Perera and Mizoguchi (2010) introduced the directed Laplacian matrix [Formula: see text] and directed Laplacian energy [Formula: see text] using the second spectral moment of [Formula: see text] for a digraph [Formula: see text] with [Formula: see text] vertices, where [Formula: see text] is the diagonal out-degree matrix, and [Formula: see text] with [Formula: see text] whenever there is an arc [Formula: see text] from the vertex [Formula: see text] to the vertex [Formula: see text] and 0 otherwise. They studied the directed Laplacian energies of two special families of digraphs (simple digraphs and symmetric digraphs). In this paper, we extend the study of Laplacian energy for digraphs which allow both simple and symmetric arcs. We present lower and upper bounds for the Laplacian energy for such digraphs and also characterize the extremal graphs that attain the lower and upper bounds. We also present a polynomial algorithm to find an optimal orientation of a simple undirected graph such that the resulting oriented graph has the minimum Laplacian energy among all orientations. This solves an open problem proposed by Perera and Mizoguchi at 2010.

Optimization Design of Electromagnetic Devices Using an Enhanced Salp Swarm Algorithm

2021 ◽  
Vol 35 (12) ◽  
pp. 1471-1476
Author(s):  
Houssem Bouchekara ◽  
Mostafa Smail ◽  
Mohamed Javaid ◽  
Sami Shamsah
Keyword(s):  
Optimization Design ◽  
Upper Bounds ◽  
Lower And Upper Bounds ◽  
Design Problems ◽  
Salp Swarm Algorithm ◽  
Electromagnetic Devices ◽  
Swarm Algorithm ◽  
Better Than

An Enhanced version of the Salp Swarm Algorithm (SSA) referred to as (ESSA) is proposed in this paper for the optimization design of electromagnetic devices. The ESSA has the same structure as of the SSA with some modifications in order to enhance its performance for the optimization design of EMDs. In the ESSA, the leader salp does not move around the best position with a fraction of the distance between the lower and upper bounds as in the SAA; rather, a modified mechanism is used. The performance of the proposed algorithm is tested on the widely used Loney’s solenoid and TEAM Workshop Problem 22 design problems. The obtained results show that the proposed algorithm is much better than the initial one. Furthermore, a comparison with other well-known algorithms revealed that the proposed algorithm is very competitive for the optimization design of electromagnetic devices.

scholarly journals On the first Zagreb index and multiplicative Zagreb coindices of graphs

2016 ◽  
Vol 24 (1) ◽  
pp. 153-176 ◽  
Author(s):  
Kinkar Ch. Das ◽  
Nihat Akgunes ◽  
Muge Togan ◽  
Aysun Yurttas ◽  
I. Naci Cangul ◽  
...  
Keyword(s):  
Degree Sequence ◽  
Molecular Graph ◽  
Upper Bounds ◽  
Extremal Graphs ◽  
Lower And Upper Bounds ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Irregularity Index ◽  
Vertex Set ◽  
The First Zagreb Index

AbstractFor a (molecular) graph G with vertex set V (G) and edge set E(G), the first Zagreb index of G is defined as, where dG(vi) is the degree of vertex vi in G. Recently Xu et al. introduced two graphical invariantsandnamed as first multiplicative Zagreb coindex and second multiplicative Zagreb coindex, respectively. The Narumi-Katayama index of a graph G, denoted by NK(G), is equal to the product of the degrees of the vertices of G, that is, NK(G) =. The irregularity index t(G) of G is defined as the number of distinct terms in the degree sequence of G. In this paper, we give some lower and upper bounds on the first Zagreb index M1(G) of graphs and trees in terms of number of vertices, irregularity index, maxi- mum degree, and characterize the extremal graphs. Moreover, we obtain some lower and upper bounds on the (first and second) multiplicative Zagreb coindices of graphs and characterize the extremal graphs. Finally, we present some relations between first Zagreb index and Narumi-Katayama index, and (first and second) multiplicative Zagreb index and coindices of graphs.

scholarly journals The Bounds of Vertex Padmakar–Ivan Index on k-Trees

Mathematics ◽  
2019 ◽  
Vol 7 (4) ◽  
pp. 324 ◽  
Author(s):  
Shaohui Wang ◽  
Zehui Shao ◽  
Jia-Bao Liu ◽  
Bing Wei
Keyword(s):  
Molecular Structure ◽  
Topological Index ◽  
Upper Bounds ◽  
Extremal Graphs ◽  
Structure Descriptor

The Padmakar–Ivan ( P I ) index is a distance-based topological index and a molecular structure descriptor, which is the sum of the number of vertices over all edges u v of a graph such that these vertices are not equidistant from u and v. In this paper, we explore the results of P I -indices from trees to recursively clustered trees, the k-trees. Exact sharp upper bounds of PI indices on k-trees are obtained by the recursive relationships, and the corresponding extremal graphs are given. In addition, we determine the P I -values on some classes of k-trees and compare them, and our results extend and enrich some known conclusions.

scholarly journals Relating the ABC and harmonic indices

2014 ◽  
Vol 79 (5) ◽  
pp. 557-563 ◽  
Author(s):  
Ivan Gutman ◽  
Lingping Zhong ◽  
Kexiang Xu
Keyword(s):  
Molecular Structure ◽  
Topological Index ◽  
Molecular Graph ◽  
Vertex Degree ◽  
Harmonic Index ◽  
Abc Index ◽  
Atom Bond ◽  
Structure Descriptor

The atom-bond connectivity (ABC) index is a much-studied molecular structure descriptor, based on the degrees of the vertices of the molecular graph. Recently, another vertex-degree-based topological index - the harmonic index (H) - attracted attention and gained popularity. We show how ABC and H are related.

scholarly journals Estimating and Approximating the Total π-Electron Energy of Benzenoid Hydrocarbons

2000 ◽  
Vol 55 (5) ◽  
pp. 507-512 ◽  
Author(s):  
I. Gutman ◽  
J. H. Koolen ◽  
V. Moulto ◽  
M. Parac ◽  
T. Soldatović ◽  
...  
Keyword(s):  
Electron Energy ◽  
Upper Bounds ◽  
Lower And Upper Bounds ◽  
Benzenoid Hydrocarbons ◽  
Carbon Carbon Bonds ◽  
Carbon Bonds ◽  
Approximate Formulas ◽  
Better Than

Abstract Lower and upper bounds as well as approximate formulas for the total π-electron energy (E) of benzenoid hydrocarbons are deduced, depending only on the number of carbon atoms (n) and number of carbon-carbon bonds (to). These are better than the several previously known (n, m)-type estimates and approximations for E.

Sign in / Sign up

Export Citation Format

Share Document