scholarly journals On Some Ve-Degree and Harmonic Molecular Topological Properties of Carborundum

2020 ◽  
Vol 8 (1) ◽  
pp. 65
Author(s):  
Murat Cancan ◽  
Kerem Yamaç ◽  
Ziyattin Taş ◽  
Mehmet Şerif Aldemir
Keyword(s):  
Silicon Carbide ◽  
Graph Theory ◽  
Topological Indices ◽  
Topological Properties ◽  
Degree Sum ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Degree Harmonic ◽  
Atom Bond

Carborundum, also known as silicon carbide which containing carbon and silicon, is a semiconductor. Molecular topological properties of physical substances are important tools to investigate the underlying topology of these substances. Ev-degree and ve-degree based on the molecular topological indices have been defined as parallel to their corresponding classical degree based topological indices in chemical graph theory. Classical degree based topological properties of carborundum have been investigated recently. As a continuation of these studies, in this study, we compute novel ve-degree harmonic, ve-degree sum-connectivity, ve-degree geometric-arithmetic, and ve-degree atom-bond connectivity, the first and the fifth harmonic molecular topological indices of two carborundum structures. 

scholarly journals On Molecular Topological Properties of TiO2 Nanotubes

2016 ◽  
Vol 2016 ◽  
pp. 1-5 ◽  
Author(s):  
Nilanjan De
Keyword(s):  
Molecular Structure ◽  
Graph Theory ◽  
Strong Correlation ◽  
Tio2 Nanotubes ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Topological Properties ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Titania Nanotube

Titania nanotube is a well-known semiconductor and has numerous technological applications. In chemical graph theory, topological indices provide an important tool to quantify the molecular structure and it is found that there is a strong correlation between the properties of chemical compounds and their molecular structure. Among different topological indices, degree-based topological indices are most studied and have some important applications. In this study, several old and new degree-based topological indices have been investigated for titania TiO2 nanotubes.

scholarly journals Banhatti, revan and hyper-indices of silicon carbide Si2C3-III[n,m]

2021 ◽  
Vol 19 (1) ◽  
pp. 646-652
Author(s):  
Dongming Zhao ◽  
Manzoor Ahmad Zahid ◽  
Rida Irfan ◽  
Misbah Arshad ◽  
Asfand Fahad ◽  
...  
Keyword(s):  
Silicon Carbide ◽  
Graph Theory ◽  
Topological Index ◽  
Molecular Graph ◽  
Graphical Analysis ◽  
Topological Indices ◽  
Chemical Bonds ◽  
Chemical Graph ◽  
Molecular Graphs ◽  
Chemical Graph Theory

Abstract In recent years, several structure-based properties of the molecular graphs are understood through the chemical graph theory. The molecular graph G G of a molecule consists of vertices and edges, where vertices represent the atoms in a molecule and edges represent the chemical bonds between these atoms. A numerical quantity that gives information related to the topology of the molecular graphs is called a topological index. Several topological indices, contributing to chemical graph theory, have been defined and vastly studied. Recent inclusions in the class of the topological indices are the K-Banhatti indices. In this paper, we established the precise formulas for the first and second K-Banhatti, modified K-Banhatti, K-hyper Banhatti, and hyper Revan indices of silicon carbide Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] . In addition, we present the graphical analysis along with the comparison of these indices for Si 2 C 3 {{\rm{Si}}}_{2}{{\rm{C}}}_{3} - III [ n , m ] {\rm{III}}\left[n,m] .

scholarly journals Some degree-based topological indices of caboxy-terminated dendritic macromolecule

2021 ◽  
Vol 44 (1) ◽  
pp. 165-172
Author(s):  
Yongsheng Rao ◽  
Ammarah Kanwal ◽  
Riffat Abbas ◽  
Saima Noureen ◽  
Asfand Fahad ◽  
...  
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Biochemical Properties ◽  
Topological Indices ◽  
Connectivity Index ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Modern Era ◽  
Dendritic Macromolecule ◽  
Atom Bond

Abstract In the modern era of the chemical science, the chemical graph theory has contributed significantly to exploring the properties of the chemical compounds. Currently, the computation of the topological indices is one of the most active directions of the research in the area of the chemical graph theory. The main feature of the study of the topological indices is its its ability of predicting the various physio-chemical properties. In this article, we compute several degree-based topological indices for the caboxy-terminated dendritic macromolecule. We compute Harmonic index, atom-bond connectivity index, geometric arithmetic index, sum connectivity index, inverse sum index, symmetric division degree, and Zagreb indices for caboxy-terminated dendritic macromolecule. The obtained results have potential to predict biochemical properties such as viscosity, entropy, and boiling point.

scholarly journals M-polynomial and topological indices of zigzag edge coronoid fused by starphene

2020 ◽  
Vol 18 (1) ◽  
pp. 1362-1369
Author(s):  
Farkhanda Afzal ◽  
Sabir Hussain ◽  
Deeba Afzal ◽  
Saira Hameed
Keyword(s):  
Graph Theory ◽  
Chemical Properties ◽  
Topological Indices ◽  
Zigzag Edge ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Chemical Graphs

AbstractChemical graph theory is a subfield of graph theory that studies the topological indices for chemical graphs that have a good correlation with chemical properties of a chemical molecule. In this study, we have computed M-polynomial of zigzag edge coronoid fused by starphene. We also investigate various topological indices related to this graph by using their M-polynomial.

scholarly journals Molecular Properties of Carbon Crystal Cubic Structures

2020 ◽  
Vol 18 (1) ◽  
pp. 339-346 ◽  
Author(s):  
Hong Yang ◽  
Muhammad Kamran Siddiqui ◽  
Muhammad Naeem ◽  
Najma Abdul Rehman
Keyword(s):  
Graph Theory ◽  
Line Segment ◽  
Topological Indices ◽  
Molecular Properties ◽  
Chemical Graph ◽  
Atomic Properties ◽  
Chemical Graph Theory ◽  
Chemical Graphs ◽  
Graphical Structure ◽  
Carbon Crystal

AbstractGraph theory assumes an imperative part in displaying and planning any synthetic structure or substance organizer. Chemical graph theory facilitates in conception of the chemical graphs for their atomic properties. The graphical structure of a chemical involves atoms termed as vertices and the line segment between two different vertices are called edges. In this manuscript, our concentration is on the chemical graph of carbon graphite and cubic carbon. Additionally, we also define a procedure and calculate the degree based topological indices namely Zagreb type indices, Balaban, Forgotten and Augmented indices.

scholarly journals MULTIPLICATIVE CONNECTIVITY STATUS NEIGHBORHOOD INDICES OF GRAPHS

2020 ◽  
Vol 9 (12) ◽  
pp. 59-68
Keyword(s):  
Graph Theory ◽  
Chemical Characteristics ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Connectivity Indices ◽  
Atom Bond ◽  
Multiplicative Arithmetic

The connectivity indices are applied to measure the chemical characteristics of compounds in Chemical Graph Theory. In this paper, we introduce the multiplicative atom bond connectivity status neighborhood index, multiplicative geometric-arithmetic status neighborhood index, multiplicative arithmetic-geometric status neighborhood index, multiplicative augmented status neighborhood index of a graph. Also we compute these newly defined indices for some standard graphs, wheel and friendship graphs.

scholarly journals Computation of Nirmala Indices of Some Chemical Networks

2021 ◽  
Vol 33 (4) ◽  
pp. 30-41
Author(s):  
V.R. KULLI ◽  
◽  
B. CHALUVARAJU ◽  
T.V. ASHA ◽  
◽  
...  
Keyword(s):  
Graph Theory ◽  
Comparative Analysis ◽  
Chemical Properties ◽  
Topological Indices ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Chemical Graphs ◽  
Chain Silicate

Chemical graph theory is a branch of graph theory whose focus of interest is to finding topological indices of chemical graphs which correlate well with chemical properties of the chemical molecules. In this paper, we compute the Nirmala index, first and second inverse Nirmala indices for some chemical networks like silicate networks, chain silicate networks, hexagonal networks, oxide networks and honeycomb networks along with their comparative analysis.

scholarly journals The Generalized Zagreb Index of Some Carbon Structures

2018 ◽  
Vol 26 (1) ◽  
pp. 91-104 ◽  
Author(s):  
Prosanta Sarkar ◽  
Nilanjan De ◽  
Anita Pal
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Topological Indices ◽  
Zagreb Index ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Chemical Graph Theory ◽  
Carbon Structures

Abstract In chemical graph theory, chemical structures are model edthrough a graph where atoms are considered as vertices and edges are bonds between them. In chemical sciences, topological indices are used for understanding the physicochemical properties of molecules. In this work, we study the generalized Zagreb index for three types of carbon allotrope’s theoretically.

scholarly journals M-Polynomials and Degree-Based Topological Indices of Triangular, Hourglass, and Jagged-Rectangle Benzenoid Systems

2018 ◽  
Vol 2018 ◽  
pp. 1-8 ◽  
Author(s):  
Young Chel Kwun ◽  
Ashaq Ali ◽  
Waqas Nazeer ◽  
Maqbool Ahmad Chaudhary ◽  
Shin Min Kang
Keyword(s):  
Graph Theory ◽  
Biological Properties ◽  
Vital Role ◽  
Topological Indices ◽  
Molecular Topology ◽  
Chemical Graph ◽  
Chemical Structures ◽  
Research Fields ◽  
Chemical Graph Theory ◽  
Active Research

Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. The study of topological indices is currently one of the most active research fields in chemical graph theory. Topological indices help to predict many chemical and biological properties of chemical structures under study. The aim of this report is to study the molecular topology of some benzenoid systems. M-polynomial has wealth of information about the degree-based topological indices. We compute M-polynomials for triangular, hourglass, and jagged-rectangle benzenoid systems, and from these M-polynomials, we recover nine degree-based topological indices. Our results play a vital role in pharmacy, drug design, and many other applied areas.

scholarly journals On molecular topological properties of dendrimers

2016 ◽  
Vol 94 (2) ◽  
pp. 120-125 ◽  
Author(s):  
Syed Ahtsham Ul Haq Bokhary ◽  
Muhammad Imran ◽  
Sadia Manzoor
Keyword(s):  
Graph Theory ◽  
Physicochemical Properties ◽  
Chemical Compounds ◽  
Topological Indices ◽  
Topological Properties ◽  
Graph Invariant ◽  
Qspr Study ◽  
Atom Bond

Topological indices are numerical parameters of a graph that characterize its topology and are usually graph invariant. In a QSAR/QSPR study, physicochemical properties and topological indices such as the Randić, atom–bond connectivity (ABC), and geometric–arithmetic (GA) indices are used to predict the bioactivity of different chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study the degree-based molecular topological indices such as ABC4 and GA5 for certain families of dendrimers. We derive the analytical closed formulae for these classes of dendrimers.

Sign in / Sign up

Export Citation Format

Share Document