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Volume 12
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Article

Zagreb Root-Indices of Graphs with Chemical Applications

by
Niko Tratnik
1,2,* and
Petra Žigert Pleteršek
1,3
1
Faculty of Natural Sciences and Mathematics, University of Maribor, Koroška cesta 160, 2000 Maribor, Slovenia
2
Institute of Mathematics, Physics and Mechanics, Jadranska 19, 1000 Ljubljana, Slovenia
3
Faculty of Chemistry and Chemical Engineering, University of Maribor, Smetanova 17, 2000 Maribor, Slovenia
*
Author to whom correspondence should be addressed.
Mathematics 2024, 12(23), 3871; https://doi.org/10.3390/math12233871
Submission received: 13 November 2024 / Revised: 6 December 2024 / Accepted: 7 December 2024 / Published: 9 December 2024
(This article belongs to the Special Issue Topological Analysis and Computation of Chemical Graphs and Physical Networks)
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Abstract

Root-indices of graphs are mathematical tools that help us to understand complex systems, like molecules and networks, by capturing key structural information. In this study, we introduce two new root-indices, the first and the second Zagreb root-index, and we analyze their properties. We apply these indices to chemical structures like benzenoid molecules and octane isomers, showing that they sometimes provide better insights than traditional indices. We also compare the effectiveness of several root-indices with their standard versions, highlighting their ability to distinguish between different graph structures.
Keywords: the first Zagreb index; the second Zagreb index; root-indices; octane isomers; discrimination power the first Zagreb index; the second Zagreb index; root-indices; octane isomers; discrimination power

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MDPI and ACS Style

Tratnik, N.; Žigert Pleteršek, P. Zagreb Root-Indices of Graphs with Chemical Applications. Mathematics 2024, 12, 3871. https://doi.org/10.3390/math12233871

AMA Style

Tratnik N, Žigert Pleteršek P. Zagreb Root-Indices of Graphs with Chemical Applications. Mathematics. 2024; 12(23):3871. https://doi.org/10.3390/math12233871

Chicago/Turabian Style

Tratnik, Niko, and Petra Žigert Pleteršek. 2024. "Zagreb Root-Indices of Graphs with Chemical Applications" Mathematics 12, no. 23: 3871. https://doi.org/10.3390/math12233871

APA Style

Tratnik, N., & Žigert Pleteršek, P. (2024). Zagreb Root-Indices of Graphs with Chemical Applications. Mathematics, 12(23), 3871. https://doi.org/10.3390/math12233871

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