On topological properties of certain boron nanostructures

Usman Ali; Abdul Qudair Baig; Muhammad Imran; Ghulam Abbas; Muhammad Asif

doi:10.1166/jctn.2017.6376

On topological properties of certain boron nanostructures

Usman Ali, Abdul Qudair Baig, Muhammad Imran, Ghulam Abbas, Muhammad Asif

Department of Mathematical Sciences

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

1 Citation (Scopus)

Abstract

Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randić, atom-bond connectivity ABC and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study and derive analytical closed results of general Randić index RG, Boron triangular sheet BTSmn, Borophene chain of B36n and Melem chain nanotube MCn. We also compute the general first Zagreb, ABC, GA, ABC4 and GA5 indices for sheet and chains for the first time and give closed formulas of these degree based indices.

Original language	English
Pages (from-to)	887-898
Number of pages	12
Journal	Journal of Computational and Theoretical Nanoscience
Volume	14
Issue number	2
DOIs	https://doi.org/10.1166/jctn.2017.6376
Publication status	Published - Feb 2017

Keywords

Atom-Bond Connectivity (ABC) Index
Boron Triangular Sheet
Borophene
General Randić Index
Geometric-Arithmetic (GA) Index
Melem Chain

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics
Computational Mathematics
Electrical and Electronic Engineering

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title = "On topological properties of certain boron nanostructures",

abstract = "Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randi{\'c}, atom-bond connectivity ABC and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study and derive analytical closed results of general Randi{\'c} index RG, Boron triangular sheet BTSmn, Borophene chain of B36n and Melem chain nanotube MCn. We also compute the general first Zagreb, ABC, GA, ABC4 and GA5 indices for sheet and chains for the first time and give closed formulas of these degree based indices.",

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author = "Usman Ali and Baig, {Abdul Qudair} and Muhammad Imran and Ghulam Abbas and Muhammad Asif",

note = "Publisher Copyright: Copyright {\textcopyright} 2017 American Scientific Publishers.",

year = "2017",

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doi = "10.1166/jctn.2017.6376",

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AU - Ali, Usman

AU - Baig, Abdul Qudair

AU - Imran, Muhammad

AU - Abbas, Ghulam

AU - Asif, Muhammad

PY - 2017/2

Y1 - 2017/2

N2 - Topological indices are numerical parameters of a graph which characterize its topology and are usually graph invariant. In QSAR/QSPR study, physico-chemical properties and topological indices such as Randić, atom-bond connectivity ABC and geometric-arithmetic (GA) index are used to predict the bioactivity of chemical compounds. Graph theory has found a considerable use in this area of research. In this paper, we study and derive analytical closed results of general Randić index RG, Boron triangular sheet BTSmn, Borophene chain of B36n and Melem chain nanotube MCn. We also compute the general first Zagreb, ABC, GA, ABC4 and GA5 indices for sheet and chains for the first time and give closed formulas of these degree based indices.

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KW - Atom-Bond Connectivity (ABC) Index

KW - Boron Triangular Sheet

KW - Borophene

KW - General Randić Index

KW - Geometric-Arithmetic (GA) Index

KW - Melem Chain

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On topological properties of certain boron nanostructures

Abstract

Keywords

ASJC Scopus subject areas

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