**Volume 3 (2021)**

**Volume 2 (2020)**

**Volume 1 (2019)**

# Main Subjects = Methematical Chemistry
Number of Articles: 27

##### 1. Computational analysis of new degree-based descriptors of Zig-Zag Benzenoid system

*Volume 3, Issue 6 , June 2021, , Pages 418-424*

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**Abstract **

Chemical graph theory is one of the dominant branches in graph theory. In this paper, we compute the atom bond connectivity, geometric arithmetic, first K-Banhatti, second K-Banhatti, first K-hyper Banhatti, second K-hyper Banhatti, modified first K-Banhatti, modified second K-Banhatti and harmonic K-Banhatti ...
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##### 2. Degree-based entropy of molecular structure of HAC5C7[P,Q]

*Volume 3, Issue 5 , May 2021, , Pages 291-295*

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**Abstract **

This study aimed at using the calculated values of topological indices, degree weighted entropy of graph, the entropy measures are calculated viz., symmetric division index, inverse sum index atom-bond connectivity entropy and geometric arithmetic entropy for the nanotube HAC5C7[p,q].
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##### 3. Topological indices of the system of generalized prisms via M-Polynomial approach

*Volume 3, Issue 5 , May 2021, , Pages 296-300*

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**Abstract **

The characteristics of various networks can be distinguished with the help of topological indices. The purpose of this paper is to study the generalized prism network, which is very interesting for physics and engineering researchers. Regarding this network, we recovered some degree-based topological ...
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##### 4. On the ψk-polynomial of graph

*Volume 3, Issue 4 , April 2021, , Pages 219-226*

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**Abstract **

In this paper, for every k-degree distance we define ψk-Polynomial of a connected graph G=(V,E) as where ψk(i,j) is the number of edges uv in G such that {dk(v), dk(u)}={i,j} and dk(v), dk(u) are the kth degree distance of v and u, and δk, ∆k are the minimum and maximum kth distance ...
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##### 5. On the ABC and GA indices of the corona products of some graphs

*Volume 3, Issue 4 , April 2021, , Pages 257-263*

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**Abstract **

In this research, we derived the formulae for the atom-bond connectivity (ABC) index and the geometric-arithmetic (GA) index of several corona products of graphs made by composing the path, the cycle and the complete graphs. Relevant mathematical results were presented with proofs, indicating the possibility ...
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##### 6. Degree based topological indices of tadpole graph via M-polynomial

*Volume 3, Issue 3 , March 2021, , Pages 146-153*

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**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 ...
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##### 7. Theoretical study of benzene ring embedded in P-type surface in 2d network using some new degree based topological indices via M-polynomial

*Volume 3, Issue 3 , March 2021, , Pages 180-186*

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**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 ...
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##### 8. Computing M-polynomial and topological indices of TUHRC4 molecular graph

*Volume 3, Issue 2 , February 2021, , Pages 103-109*

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**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 ...
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##### 9. A note on QSPR analysis of total Zagreb and total Randić İndices of octanes

*Volume 3, Issue 2 , February 2021, , Pages 139-145*

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**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 ...
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##### 10. Reciprocal Atom-bond connectivity and Fourth Atom-bond connectivity indices for Polyphenylene structure of molecules

*Volume 2, Issue 12 , December 2020, , Pages 1202-1209*

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**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 ...
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##### 11. Degree-based topological descriptors of Star of David and Hexagonal Cage networks

*Volume 2, Issue 11 , November 2020, , Pages 1093-1100*

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**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, ...
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##### 12. New degree-based topological descriptors via m-polynomial of boron α-nanotube

*Volume 2, Issue 11 , November 2020, , Pages 1117-1125*

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**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 ...
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##### 13. On leap eccentric connectivity index of thorny graphs

*Volume 2, Issue 10 , October 2020, , Pages 1033-1039*

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**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 ...
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##### 14. Eccentricity version F-index of some graph operations

*Volume 2, Issue 10 , October 2020, , Pages 1059-1063*

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**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 ...
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##### 15. Computing metric and partition dimension of tessellation of plane by boron nanosheets

*Volume 2, Issue 10 , October 2020, , Pages 1064-1071*

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**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 ...
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##### 16. Some topological descriptors and algebraic polynomials of Pm+FPm

*Volume 2, Issue 10 , October 2020, , Pages 1072-1081*

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**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 ...
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##### 17. Weighted entropy of Zig-Zag chain

*Volume 2, Issue 10 , October 2020, , Pages 1082-1087*

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**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 ...
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##### 18. Ve-degree and Ev-degree topological analysis of some anticancer drugs

*Volume 2, Issue 8 , August 2020, , Pages 834-840*

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**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 ...
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##### 19. Multiplicative leap Zagreb indices of T-thorny graphs

*Volume 2, Issue 8 , August 2020, , Pages 841-846*

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**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 ...
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##### 20. Computing the Narumi-Katayama indices and its modified version of some nanostar dendrimers

*Volume 2, Issue 7 , July 2020, , Pages 771-775*

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**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, ...
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##### 21. On Van, r and s topological properties of the Sierpinski triangle networks

*Volume 2, Issue 7 , July 2020, , Pages 819-826*

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**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 ...
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##### 22. F-leap index of some special classes of bridge and chain graphs

*Volume 2, Issue 7 , July 2020, , Pages 827-833*

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**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 ...
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##### 23. Weighted entropy of penta chains graph

*Volume 2, Issue 6 , June 2020, , Pages 652-662*

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**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 ...
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##### 24. New results on eccentric connectivity indices of V-Phenylenic nanotube

*Volume 2, Issue 6 , June 2020, , Pages 663-671*

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**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 ...
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##### 25. On molecular topological descriptors of certain families of nanostar dendrimers

*Volume 2, Issue 6 , June 2020, , Pages 680-687*