On topological properties of boron and boron-α nanotubes

Muhammad Imran; Tariq Nawaz; Mehar Ali Malik; Muhammad Kamran Jamil; Sikander Hayat

doi:10.1002/mma.6808

On topological properties of boron and boron-α nanotubes

Muhammad Imran, Tariq Nawaz, Mehar Ali Malik, Muhammad Kamran Jamil, Sikander Hayat

Department of Mathematical Sciences

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

A topological index is a numerical quantity correlating an important physicochemical property of a chemical compound. Study of such indices has found important and vital applications in QSAR/QSPR study, drug design, and pharmacology. In this paper, we use a novel mathematical method of edge partition to compute the Wiener polarity index and a special cases of generalized Wiener polarity index of boron-triangular and boron-α nanotubes. Furthermore, we compute certain distance-based indices of boron triangular nanotubes by using the edge partition technology. A computational analysis and graphical comparison of computed indices is also given to confirm the validity of obtained results.

Original language	English
Journal	Mathematical Methods in the Applied Sciences
DOIs	https://doi.org/10.1002/mma.6808
Publication status	Accepted/In press - 2020

Keywords

boron nanotube
molecular graphs
topological indices

ASJC Scopus subject areas

Mathematics(all)
Engineering(all)

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10.1002/mma.6808

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title = "On topological properties of boron and boron-α nanotubes",

abstract = "A topological index is a numerical quantity correlating an important physicochemical property of a chemical compound. Study of such indices has found important and vital applications in QSAR/QSPR study, drug design, and pharmacology. In this paper, we use a novel mathematical method of edge partition to compute the Wiener polarity index and a special cases of generalized Wiener polarity index of boron-triangular and boron-α nanotubes. Furthermore, we compute certain distance-based indices of boron triangular nanotubes by using the edge partition technology. A computational analysis and graphical comparison of computed indices is also given to confirm the validity of obtained results.",

keywords = "boron nanotube, molecular graphs, topological indices",

author = "Muhammad Imran and Tariq Nawaz and Malik, {Mehar Ali} and Jamil, {Muhammad Kamran} and Sikander Hayat",

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AU - Imran, Muhammad

AU - Nawaz, Tariq

AU - Malik, Mehar Ali

AU - Jamil, Muhammad Kamran

AU - Hayat, Sikander

N1 - Funding Information: This research is supported by the UPAR Grants of United Arab Emirates University, Al Ain, UAE, via Grants G00002590 and G00003271. Publisher Copyright: © 2020 John Wiley & Sons, Ltd.

PY - 2020

Y1 - 2020

N2 - A topological index is a numerical quantity correlating an important physicochemical property of a chemical compound. Study of such indices has found important and vital applications in QSAR/QSPR study, drug design, and pharmacology. In this paper, we use a novel mathematical method of edge partition to compute the Wiener polarity index and a special cases of generalized Wiener polarity index of boron-triangular and boron-α nanotubes. Furthermore, we compute certain distance-based indices of boron triangular nanotubes by using the edge partition technology. A computational analysis and graphical comparison of computed indices is also given to confirm the validity of obtained results.

AB - A topological index is a numerical quantity correlating an important physicochemical property of a chemical compound. Study of such indices has found important and vital applications in QSAR/QSPR study, drug design, and pharmacology. In this paper, we use a novel mathematical method of edge partition to compute the Wiener polarity index and a special cases of generalized Wiener polarity index of boron-triangular and boron-α nanotubes. Furthermore, we compute certain distance-based indices of boron triangular nanotubes by using the edge partition technology. A computational analysis and graphical comparison of computed indices is also given to confirm the validity of obtained results.

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On topological properties of boron and boron-α nanotubes

Abstract

Keywords

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