Volume 3 (2021)
Volume 2 (2020)
Volume 1 (2019)
Main Subjects = Methematical Chemistry
Number of Articles: 22
1. Degree based topological indices of tadpole graph via M-polynomial
Articles in Press, Accepted Manuscript, Available Online from 19 February 2021
Abstract
Chemical graph theory has an important impact on the development of the chemical sciences. A chemical graph is a graph that is produced from some molecular structure by applying some graphical operations. The demonstration of chemical compounds and chemical networks with the M-polynomials is a revolution ... Read More)
2. Theoretical study of benzene ring embedded in P-type surface in 2d network using some new degree based topological indices via M-polynomial
Articles in Press, Accepted Manuscript, Available Online from 02 March 2021
Abstract
Algebraic polynomials play an important role in theoretical chemistry because these can reflect the properties of the chemical compound. M-polynomial is also an algebraic polynomial that is used to find the expressions of several degree dependent topological indices. These topological indices have the ... Read More)
3. A note on QSPR analysis of total Zagreb and total Randić İndices of octanes
Volume 3, Issue 2 , February 2021, , Pages 139-145
Abstract
Topological indices are important tools for QSPR researches. Wiener, Zagreb, and Randić indices are pioneers of topological indices as the most used topological indices in view of chemistry and chemical graph theory. These three topological indices have been used for modeling physical properties of ... Read More)
4. Computing M-polynomial and topological indices of TUHRC4 molecular graph
Volume 3, Issue 2 , February 2021, , Pages 103-109
Abstract
Chemical graph theory has an important role in the development of chemical sciences. A graph is produced from certain molecular structure by means of applying several graphical operations. The local graph parameter is valency, which is defined for every vertex as the number associates with other vertices ... Read More)
5. Reciprocal Atom-bond connectivity and Fourth Atom-bond connectivity indices for Polyphenylene structure of molecules
Volume 2, Issue 12 , December 2020, , Pages 1202-1209
Abstract
Polyphenylene is a class of polycyclic aromatic compounds that has varied applications in biochemistry and biology. A numerical measure that defines the characteristics of a chemical structure is called topological index. In chemical graph theory, Estrada et al. proposed the degree-based topological ... Read More)
6. Degree-based topological descriptors of Star of David and Hexagonal Cage networks
Volume 2, Issue 11 , November 2020, , Pages 1093-1100
Abstract
Topological indices are numerical parameters of a graph that characterize its molecular topology. In theoretical chemistry, the numerical parameters which are used to depict the molecular topology of graphs are called topological indices. Several physical and chemical properties like boiling point, entropy, ... Read More)
7. New degree-based topological descriptors via m-polynomial of boron α-nanotube
Volume 2, Issue 11 , November 2020, , Pages 1117-1125
Abstract
The study of molecular structure having size less than 100 nm is called nanotechnology. Nano-materials have vast applications in different fields. Boron α-nanotube is very famous in Nano-science. In this article, we computed some important topological indices of this structure using their M-polynomial ... Read More)
8. Eccentricity version F-index of some graph operations
Volume 2, Issue 10 , October 2020, , Pages 1059-1063
Abstract
The eccentricity version F-index of a graph G is defined as the summation of cube of all the vertex eccentricities of G. In this report, the eccentricity version of F-index of the generalized hierarchical product of graphs was computed. Further, we obtained some explicit expressions of eccentricity version ... Read More)
9. On leap eccentric connectivity index of thorny graphs
Volume 2, Issue 10 , October 2020, , Pages 1033-1039
Abstract
The 2-degree of a vertex v of a simple graph G is the number of vertices which are at distance two from v in G and is denoted by d2(v). In this article, we compute exact values of a recent eccentricity-based topological index called Leap eccentric connectivity index (LECI), which is defined as the sum ... Read More)
10. Computing metric and partition dimension of tessellation of plane by boron nanosheets
Volume 2, Issue 10 , October 2020, , Pages 1064-1071
Abstract
Metric dimension dim(G) and portion dimension pd(G) are usually related as pd(G)≤dim(G)+1. However, if the partition dimension is significantly smaller than the metric dimension, then it is termed as discrepancy. This paper mainly deals with metric dimension and partition dimension of tessellation ... Read More)
11. Some topological descriptors and algebraic polynomials of Pm+FPm
Volume 2, Issue 10 , October 2020, , Pages 1072-1081
Abstract
A topological index of G is a quantity related to G that characterizes its topology. Properties of the chemical compounds and topological invariants are related to each other. In this paper, we derive the algebraic polynomials including first and second Zagreb polynomials, and forgotten polynomial for ... Read More)
12. Weighted entropy of Zig-Zag chain
Volume 2, Issue 10 , October 2020, , Pages 1082-1087
Abstract
The entropy of a graph is a functional depending both on the graph itself and on a probability distribution on its vertex set. This graph functional originated from the problem of source coding in information theory and was introduced by J. Krner in 1973. Although the notion of graph entropy has its ... Read More)
13. Ve-degree and Ev-degree topological analysis of some anticancer drugs
Volume 2, Issue 8 , August 2020, , Pages 834-840
Abstract
Computing topological indices of drug structures provides the chemical information about the underlying topology of the drug’s structures. Novel anticancer drug studies have been conducting by researches to design and produce ideal drugs. Chemical properties of these new drug candidates investigated ... Read More)
14. Multiplicative leap Zagreb indices of T-thorny graphs
Volume 2, Issue 8 , August 2020, , Pages 841-846
Abstract
Let G=(V, E) is a molecular graph in which the vertex set V represents atoms and the edge set E represents the bonds between the atoms, corresponding to a chemical compound. In this research study, we introduced a new type of distance based topological indices called multiplicative leap Zagreb indices ... Read More)
15. Computing the Narumi-Katayama indices and its modified version of some nanostar dendrimers
Volume 2, Issue 7 , July 2020, , Pages 771-775
Abstract
Dendrimers are the highly branched organic macromolecules with successive layers or generations of branch units surrounding a central core. In mathematical chemistry, a particular attention has been given to degree-based graph invariant. The Narumi-Katayama index and its modified version of a graph G, ... Read More)
16. F-leap index of some special classes of bridge and chain graphs
Volume 2, Issue 7 , July 2020, , Pages 827-833
Abstract
The 2-degree of a vertex v in a (molecular) graph G is the number of vertices which are at distance two from v in G. The F-leap index of a molecular graph G is the sum of cubes of the 2-degree of every vertex v in G. In this research study, we have computed the F-leap index of some special classes of ... Read More)
17. On Van, r and s topological properties of the Sierpinski triangle networks
Volume 2, Issue 7 , July 2020, , Pages 819-826
Abstract
A topological index-a numerical quantity derived from the graph of a chemical network-is used for modelling the mathematical, chemical and physical properties of these networks and chemicals. The topological properties of the Sierpinski triangle has been newly studied in chemical graph theory. In this ... Read More)
18. On molecular topological descriptors of certain families of nanostar dendrimers
Volume 2, Issue 6 , June 2020, , Pages 680-687
Abstract
In this article, we study the degree based molecular topological indices for some infinite families of Nanostar Dendrimers. We derive the analytical closed formulae for these classes of complex chemical networks. These results are very helpful in understanding and predicting the physico-chemical properties ... Read More)
19. Weighted entropy of penta chains graph
Volume 2, Issue 6 , June 2020, , Pages 652-662
Abstract
Mathematical chemistry is a branch of theoretical chemistry in which we predict the mathematical structure by means of mathematical tools. In past few decades, many studies have been conducted in this area. This theory has cooperated a significant role in the field of chemistry. The main goal of this ... Read More)
20. New results on eccentric connectivity indices of V-Phenylenic nanotube
Volume 2, Issue 6 , June 2020, , Pages 663-671
Abstract
Topological index is a type of molecular descriptor calculated based on the molecular graph of a chemical compound. Topological indices are used for developing the quantitative structure activity relationships (QSARs) in which the biological activity or other properties of the molecules are correlated ... Read More)
21. On ve-degree atom-bond connectivity, sum-connectivity, geometric-arithmetic and harmonic indices of copper oxide
Volume 2, Issue 5 , May 2020, , Pages 641-645
Abstract
Topological indices are important tools to modeling chemical properties of molecules. ve-degree based atom-bond connectivity, sum-connectivity, geometric-arithmetic, and harmonic indices are defined as their corresponding classical degree based counterparts recently in chemical graph theory. In this ... Read More)
22. General fifth M-Zagreb indices and fifth M-Zagreb polynomials of carbon graphite
Volume 2, Issue 5 , May 2020, , Pages 634-640
Abstract
Graph theory plays a vital role in modeling and designing any chemical structure or chemical network. Chemical graph theory helps to understand the molecular structural properties of a molecular graph. The molecular graph is a graph consisting of atoms called vertices and the chemical bond between atoms ... Read More)