scholarly journals Topological Indices of Para-line Graphs of V-Phenylenic Nanostructures

2019 ◽  
Vol 17 (1) ◽  
pp. 260-266 ◽  
Author(s):  
Imran Nadeem ◽  
Hani Shaker ◽  
Muhammad Hussain ◽  
Asim Naseem
Keyword(s):  
Chemical Properties ◽  
Topological Indices ◽  
Structural Chemistry ◽  
Line Graphs ◽  
Physical And Chemical Properties ◽  
Graph Invariants ◽  
Molecular Graphs ◽  
Physical And Chemical ◽  
And Chemical Properties

Abstract The degree-based topological indices are numerical graph invariants which are used to correlate the physical and chemical properties of a molecule with its structure. Para-line graphs are used to represent the structures of molecules in another way and these representations are important in structural chemistry. In this article, we study certain well-known degree-based topological indices for the para-line graphs of V-Phenylenic 2D lattice, V-Phenylenic nanotube and nanotorus by using the symmetries of their molecular graphs.

scholarly journals Topological invariants for the line graphs of some classes of graphs

2019 ◽  
Vol 17 (1) ◽  
pp. 1483-1490
Author(s):  
Xiaoqing Zhou ◽  
Mustafa Habib ◽  
Tariq Javeed Zia ◽  
Asim Naseem ◽  
Anila Hanif ◽  
...  
Keyword(s):  
Communication Theory ◽  
Chemical Reactivity ◽  
Line Graph ◽  
Chemical Properties ◽  
Topological Invariants ◽  
Line Graphs ◽  
Physical And Chemical Properties ◽  
Physical And Chemical ◽  
Ladder Graphs ◽  
And Chemical Properties

AbstractGraph theory plays important roles in the fields of electronic and electrical engineering. For example, it is critical in signal processing, networking, communication theory, and many other important topics. A topological index (TI) is a real number attached to graph networks and correlates the chemical networks with physical and chemical properties, as well as with chemical reactivity. In this paper, our aim is to compute degree-dependent TIs for the line graph of the Wheel and Ladder graphs. To perform these computations, we first computed M-polynomials and then from the M-polynomials we recovered nine degree-dependent TIs for the line graph of the Wheel and Ladder graphs.

On eccentricity-based topological descriptors of water-soluble dendrimers

2018 ◽  
Vol 74 (1-2) ◽  
pp. 25-33 ◽  
Author(s):  
Zahid Iqbal ◽  
Muhammad Ishaq ◽  
Adnan Aslam ◽  
Wei Gao
Keyword(s):  
Molecular Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
Water Soluble ◽  
Connectivity Index ◽  
Topological Descriptors ◽  
Physical And Chemical Properties ◽  
Eccentric Connectivity Index ◽  
Physical And Chemical ◽  
And Chemical Properties

AbstractPrevious studies show that certain physical and chemical properties of chemical compounds are closely related with their molecular structure. As a theoretical basis, it provides a new way of thinking by analyzing the molecular structure of the compounds to understand their physical and chemical properties. The molecular topological indices are numerical invariants of a molecular graph and are useful to predict their bioactivity. Among these topological indices, the eccentric-connectivity index has a prominent place, because of its high degree of predictability of pharmaceutical properties. In this article, we compute the closed formulae of eccentric-connectivity–based indices and its corresponding polynomial for water-soluble perylenediimides-cored polyglycerol dendrimers. Furthermore, the edge version of eccentric-connectivity index for a new class of dendrimers is determined. The conclusions we obtained in this article illustrate the promising application prospects in the field of bioinformatics and nanomaterial engineering.

scholarly journals M-Polynomials and Associated Topological Indices of Sodalite Materials

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Ghazanfar Abbas ◽  
Muhammad Ibrahim ◽  
Ali Ahmad ◽  
Muhammad Azeem ◽  
Kashif Elahi
Keyword(s):  
Greenhouse Gases ◽  
Topological Index ◽  
Low Cost ◽  
Chemical Properties ◽  
Topological Indices ◽  
Mathematical Tool ◽  
Physical And Chemical Properties ◽  
Natural Zeolites ◽  
Physical And Chemical ◽  
And Chemical Properties

Natural zeolites are commonly described as macromolecular sieves. Zeolite networks are very trendy chemical networks due to their low-cost implementation. Sodalite network is one of the most studied types of zeolite networks. It helps in the removal of greenhouse gases. To study this rich network, we use an authentic mathematical tool known as M-polynomials of the topological index and show some physical and chemical properties in numerical form, and to understand the structure deeply, we compare different legitimate M-polynomials of topological indices, concluding in the form of graphical comparisons.

scholarly journals Topological Aspects of Boron Nanotubes

2018 ◽  
Vol 2018 ◽  
pp. 1-11 ◽  
Author(s):  
Jia-Bao Liu ◽  
Hani Shaker ◽  
Imran Nadeem ◽  
Muhammad Hussain
Keyword(s):  
Thermal Stability ◽  
Electronic Properties ◽  
Chemical Structure ◽  
Chemical Properties ◽  
Topological Indices ◽  
The Other ◽  
Theoretical Studies ◽  
Physical And Chemical Properties ◽  
Physical And Chemical ◽  
And Chemical Properties

The degree-based topological indices are used to correlate the physical and chemical properties of a molecule with its chemical structure. Boron nanotubular structures are high-interest materials due to the presence of multicenter bonds and have novel electronic properties. These materials have some important issues in nanodevice applications like mechanical and thermal stability. Therefore, they require theoretical studies on the other properties. In this paper, we present certain degree-based topological indices such as ABC, the fourth ABC, GA, and the fifth GA indices for boron triangular and boron-α nanotubes.

scholarly journals An Introductory Note on the Spectrum and Energy of Molecular Graphs

2017 ◽  
Vol 16 (2) ◽  
pp. 17-27
Author(s):  
Ann Susa Thomas ◽  
Sunny Joseph Kalayathankal ◽  
Joseph Varghese Kureethara
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Physical And Chemical Properties ◽  
Structural Studies ◽  
Theoretical Methods ◽  
Molecular Graphs ◽  
Introductory Note ◽  
Introductory Paper ◽  
Physical And Chemical ◽  
And Chemical Properties

Graph Theory is one branch of Mathematics that laid the foundations of the structural studies in Chemistry. The fact that every molecule or compound can be represented as a network of vertices (elements) and edges (bonds) provoked the question of the predictability of the physical and chemical properties of molecules and compounds. Spectrum, π-electron energy, Spectral Radius etc. are predictable using graph theoretical methods. This is an introductory paper about spectrum and energy of molecular graphs.

scholarly journals M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules

Biomolecules ◽  
2018 ◽  
Vol 8 (4) ◽  
pp. 107 ◽  
Author(s):  
Wei Gao ◽  
Muhammad Younas ◽  
Adeel Farooq ◽  
Abid Mahboob ◽  
Waqas Nazeer
Keyword(s):  
Strain Energy ◽  
Chemical Properties ◽  
Quantitative Structure Activity Relationship ◽  
Topological Indices ◽  
Crystallographic Structure ◽  
Physical And Chemical Properties ◽  
Structure Of Molecules ◽  
Structure Activity ◽  
Physical And Chemical ◽  
And Chemical Properties

Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, melting point, distortion, and strain energy etc. In this paper, we determined the M-polynomials of the crystallographic structure of the molecules Cu2O and TiF2 [p,q,r]. Then we derived closed formulas for some well-known topological indices using calculus. In the end, we used Maple 15 to plot surfaces associated with the topological indices of Cu2O and TiF2 [p,q,r].

Statistical criteria of stellar population types

1966 ◽  
Vol 24 ◽  
pp. 101-110
Author(s):  
W. Iwanowska
Keyword(s):  
Stellar Population ◽  
Chemical Properties ◽  
Spectrophotometric Study ◽  
Physical And Chemical Properties ◽  
Population Type ◽  
The Galaxy ◽  
Distribution Parameters ◽  
Physical And Chemical ◽  
Statistical Criteria ◽  
And Chemical Properties

In connection with the spectrophotometric study of population-type characteristics of various kinds of stars, a statistical analysis of kinematical and distribution parameters of the same stars is performed at the Toruń Observatory. This has a twofold purpose: first, to provide a practical guide in selecting stars for observing programmes, second, to contribute to the understanding of relations existing between the physical and chemical properties of stars and their kinematics and distribution in the Galaxy.

Response of corn (Zea mays L.) to various organic-based fertilizers in marginal upland of Sta. Rita, Samar

2017 ◽  
pp. 31-43
Author(s):  
Berta Ratilla ◽  
Loreme Cagande ◽  
Othello Capuno
Keyword(s):  
Block Design ◽  
Management Strategies ◽  
Chemical Properties ◽  
Organic Fertilizers ◽  
Growth And Yield ◽  
Physical And Chemical Properties ◽  
Total N ◽  
Randomized Complete Block Design ◽  
Physical And Chemical ◽  
And Chemical Properties

Organic farming is one of the management strategies that improve productivity of marginal uplands. The study aimed to: (1) evaluate effects of various organic-based fertilizers on the growth and yield of corn; (2) determine the appropriate combination for optimum yield; and (3) assess changes on the soil physical and chemical properties. Experiment was laid out in Randomized Complete Block Design, with 3 replications and 7 treatments, namely; T0=(0-0-0); T1=1t ha-1 Evans + 45-30-30kg N, P2O5, K2O ha-1; T2=t ha-1 Wellgrow + 45-30-30kg N, P2O5, K2O ha-1; T3=15t ha-1 chicken dung; T4=10t ha-1 chicken dung + 45-30-30kg N, P2O5, K2O ha-1; T5=15t ha-1 Vermicast; and T6=10t ha-1 Vermicast + 45-30-30kg N, P2O5, K2O ha-1. Application of organic-based fertilizers with or without inorganic fertilizers promoted growth of corn than the control. But due to high infestation of corn silk beetle(Monolepta bifasciata Horns), its grain yield was greatly affected. In the second cropping, except for Evans, any of these fertilizers applied alone or combined with 45-30-30kg N, P2O5, K2O ha-1 appeared appropriate in increasing corn earyield. Soil physical and chemical properties changed with addition of organic fertilizers. While bulk density decreased irrespective of treatments, pH, total N, available P and exchangeable K generally increased more with chicken dung application.

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