Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index

The Misbalance Rodeg (MR) index stands out among the 148 discrete Adriatic indices demonstrating considerable predictive capabilities in evaluations carried out by the International Academy of Mathematical Chemistry. This index excels particularly in forecasting both the enthalpy and the standard en...

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Main Authors: Nasrin Dehgardi, Mahdieh Azari, Yilun Shang
Format: Article
Language:English
Published: Elsevier 2025-01-01
Series:Heliyon
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Online Access:http://www.sciencedirect.com/science/article/pii/S2405844024172660
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author Nasrin Dehgardi
Mahdieh Azari
Yilun Shang
author_facet Nasrin Dehgardi
Mahdieh Azari
Yilun Shang
author_sort Nasrin Dehgardi
collection DOAJ
description The Misbalance Rodeg (MR) index stands out among the 148 discrete Adriatic indices demonstrating considerable predictive capabilities in evaluations carried out by the International Academy of Mathematical Chemistry. This index excels particularly in forecasting both the enthalpy and the standard enthalpy of vaporization for octane isomers. Despite its significant chemical applicability, the MR index has not been extensively explored in the literature. One objective of this study is to highlight the importance of this graph invariant to the mathematical chemistry community by examining various mathematical properties associated with it. Our investigation specifically aims to ascertain the minimal values of the MR index for all trees and unicyclic graphs with a given order and maximum vertex degree. Additionally, we extend our analysis to molecular trees and provide a characterization of the respective minimal trees and unicyclic graphs.
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spelling doaj-art-ac95fca12e0b4381921588b3f69e96532025-01-17T04:50:36ZengElsevierHeliyon2405-84402025-01-01111e41235Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg indexNasrin Dehgardi0Mahdieh Azari1Yilun Shang2Department of Mathematics and Computer Science, Sirjan University of Technology, Sirjan, IranDepartment of Mathematics, Kazerun Branch, Islamic Azad University, P. O. Box: 73135-168, Kazerun, Iran; Corresponding author.Department of Computer and Information Sciences, Northumbria University, Newcastle, NE1 8ST, UKThe Misbalance Rodeg (MR) index stands out among the 148 discrete Adriatic indices demonstrating considerable predictive capabilities in evaluations carried out by the International Academy of Mathematical Chemistry. This index excels particularly in forecasting both the enthalpy and the standard enthalpy of vaporization for octane isomers. Despite its significant chemical applicability, the MR index has not been extensively explored in the literature. One objective of this study is to highlight the importance of this graph invariant to the mathematical chemistry community by examining various mathematical properties associated with it. Our investigation specifically aims to ascertain the minimal values of the MR index for all trees and unicyclic graphs with a given order and maximum vertex degree. Additionally, we extend our analysis to molecular trees and provide a characterization of the respective minimal trees and unicyclic graphs.http://www.sciencedirect.com/science/article/pii/S2405844024172660Graph irregularityMisbalance rodeg indexTreesUnicyclic graphsSharp bounds
spellingShingle Nasrin Dehgardi
Mahdieh Azari
Yilun Shang
Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
Heliyon
Graph irregularity
Misbalance rodeg index
Trees
Unicyclic graphs
Sharp bounds
title Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
title_full Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
title_fullStr Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
title_full_unstemmed Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
title_short Lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
title_sort lower bounds on trees and unicyclic graphs with respect to the misbalance rodeg index
topic Graph irregularity
Misbalance rodeg index
Trees
Unicyclic graphs
Sharp bounds
url http://www.sciencedirect.com/science/article/pii/S2405844024172660
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