Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a rando...

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Autores principales:	Zahid Raza, Muhammad Imran
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	modified Zagreb index symmetric difference index inverse symmetric index augmented Zagreb index random cyclooctane chain cycloalkane Mathematics QA1-939
Acceso en línea:	https://doaj.org/article/8ec91c688fb944eb94263efcdd777872
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spelling	oai:doaj.org-article:8ec91c688fb944eb94263efcdd7778722021-11-25T19:07:30ZExpected Values of Some Molecular Descriptors in Random Cyclooctane Chains10.3390/sym131121972073-8994https://doaj.org/article/8ec91c688fb944eb94263efcdd7778722021-11-01T00:00:00Zhttps://www.mdpi.com/2073-8994/13/11/2197https://doaj.org/toc/2073-8994The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a random cyclooctane chain, we mean a molecular graph of a saturated hydrocarbon containing at least two rings such that all rings are cyclooctane, every ring is joint with at most two other rings through a single bond, and exactly two rings are joint with one other ring. In this article, our main purpose is to determine the expected values of the aforementioned molecular descriptors of random cyclooctane chains explicitly. We also make comparisons in the form of explicit formulae and numerical tables consisting of the expected values of the considered descriptors of random cyclooctane chains. Moreover, we outline the graphical profiles of these comparisons among the mentioned descriptors.Zahid RazaMuhammad ImranMDPI AGarticlemodified Zagreb indexsymmetric difference indexinverse symmetric indexaugmented Zagreb indexrandom cyclooctane chaincycloalkaneMathematicsQA1-939ENSymmetry, Vol 13, Iss 2197, p 2197 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	modified Zagreb index symmetric difference index inverse symmetric index augmented Zagreb index random cyclooctane chain cycloalkane Mathematics QA1-939
spellingShingle	modified Zagreb index symmetric difference index inverse symmetric index augmented Zagreb index random cyclooctane chain cycloalkane Mathematics QA1-939 Zahid Raza Muhammad Imran Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
description	The modified second Zagreb index, symmetric difference index, inverse symmetric index, and augmented Zagreb index are among the molecular descriptors which have good correlations with some physicochemical properties (such as formation heat, total surface area, etc.) of chemical compounds. By a random cyclooctane chain, we mean a molecular graph of a saturated hydrocarbon containing at least two rings such that all rings are cyclooctane, every ring is joint with at most two other rings through a single bond, and exactly two rings are joint with one other ring. In this article, our main purpose is to determine the expected values of the aforementioned molecular descriptors of random cyclooctane chains explicitly. We also make comparisons in the form of explicit formulae and numerical tables consisting of the expected values of the considered descriptors of random cyclooctane chains. Moreover, we outline the graphical profiles of these comparisons among the mentioned descriptors.
format	article
author	Zahid Raza Muhammad Imran
author_facet	Zahid Raza Muhammad Imran
author_sort	Zahid Raza
title	Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
title_short	Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
title_full	Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
title_fullStr	Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
title_full_unstemmed	Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains
title_sort	expected values of some molecular descriptors in random cyclooctane chains
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/8ec91c688fb944eb94263efcdd777872
work_keys_str_mv	AT zahidraza expectedvaluesofsomemoleculardescriptorsinrandomcyclooctanechains AT muhammadimran expectedvaluesofsomemoleculardescriptorsinrandomcyclooctanechains
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Expected Values of Some Molecular Descriptors in Random Cyclooctane Chains

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