Investigation of Atom-Bond Connectivity Indices of Line Graphs Using Subdivision Approach

Husin, Mohamad Nazri; Zafar, Sohail; Gobithaasan, R. U.

doi:10.1155/2022/6219155

Cited by 27 publications

(9 citation statements)

References 19 publications

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“…used to predict the properties of these materials. They are often an addition to calculations using quantum chemistry that need a deal of computing [18][19][20][21][22][23]. There is a wide range of indices that can be used in research to understand the relationships between structure and properties .…”

Section: Of 16mentioning

confidence: 99%

Topological Properties and Entropy Calculations of Aluminophosphates

Vijay¹,

Santiago²,

Bheeter³

et al. 2023

Preprint

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Topological indices are invariant numerical fields of a graph that give facts about the structure of graphs and are found to be very helpful in predicting the physical properties of aluminophosphates. The characteristics of the aluminophosphates are similar to those of zeolites. Two examples of current applications are natural gas dehydration and humidity sensor. New frameworks are being synthesised by researchers in chemistry and materials science. There are many layers and holes in these substances. In this study, Vertex version of distance-based topological indices, the entropy of topological indices and their numerical analysis are explained.

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Section: Of 16mentioning

confidence: 99%

Topological Properties and Entropy Calculations of Aluminophosphates

Vijay¹,

Santiago²,

Bheeter³

et al. 2023

Preprint

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“…We refer the reader to [5][6][7][8][9][10][11][12], for further study about these indices. Graph-theoretical matrices and derived molecular descriptors have played an important roles in QSPR and QSAR studies [13][14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

On Some Extended Energy of Graphs and Their Applications

Sarkar,

Kumar,

Pal

2024

Preprint

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In this paper, we dealt with extended energy of graphs namely first and second Zagreb energy, Randić energy, reciprocal Randić energy, and the atom-bond connectivity energy. We studied their relationship with some thermodynamic properties of benzenoid hydrocarbons. We have seen that these indices are well correlated to the boiling point (BP), Kovats retention index (RI), entropy (S), enthalpy of formation (ΔHf), octanol-water partition coefficient (logP), and acentric factor (ω) of benzenoid hydrocarbons. Significantly, the correlation coefficients of Randić energy with the boiling point, enthalpy of formation, Kovats retention index, octanol-water partition coefficient, and acentric factor are greater than 0.97.

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“…Topological indices are of interest because of their application in chemistry studies of the QSPR/QSAR [5,13]. Numerous of these topological indices are based on vertices' degrees of nanocones CN C K [n] [8], nanostar dendrimers [16,18], titania nanotubes [23], network [17,19], silicate carbide Si 2 C 3 − I[p, q] [3], diphenylene graph [26], succinct drug [9], aluminophosphates [28], bistar and coronal product [12], line graph of dendrimer [20], Metal organic-frameworks [21] and many more.…”

Section: Introductionmentioning

confidence: 99%

Some New Bounds on the Modified Symmetric Division Deg Index

Gowtham,,

Husin,,

Siddiqui,

2024

MJMS

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The use of graph theory in the fields of chemistry, pharmacy, communication, maps, and aeronautics is significant. In order to study the properties of chemical compounds, the molecules of those compounds are modeled as graphs. Boiling point, enthalpy, π -electron energy, and molecular weight are a few examples of physical properties that are related to the geometric structure of the compound. Recently, the modified symmetric division deg (mSDD(G), in short) index is {defined} as the total of all adjacent vertices in pairs μυ of the term 12(dμdν+dνdμ)−−−−−−−−−−−−√. The purpose of this article is to demonstrate the usefulness of mSDD(G) index through the resolution of an interdisciplinary problem describing the structure of benzenoid hydrocarbons. With the help of linear regression models, we have studied the physicochemical properties of benzenoid hydrocarbons. Strong correlations were obtained, and the bounds for the same index were subsequently established.

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Investigation of Atom-Bond Connectivity Indices of Line Graphs Using Subdivision Approach

Abstract: A topological index is a numerical measure that characterises the whole structure of a graph. Based on vertex degrees, the idea of an atom-bond connectivity A B C index was introduced in chemical graph theory. Later, different versions of the ABC index we… Show more

Cited by 27 publications

References 19 publications

Topological Properties and Entropy Calculations of Aluminophosphates

Topological Properties and Entropy Calculations of Aluminophosphates

On Some Extended Energy of Graphs and Their Applications

Some New Bounds on the Modified Symmetric Division Deg Index

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