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https://doi.org/10.5562/cca3291

The Wiener Polarity Index of Benzenoid Systems and Nanotubes

Niko Tratnik orcid id orcid.org/0000-0002-5564-049X ; University of Maribor, Faculty of Natural Sciences and Mathematics, Koroška cesta 160, 2000 Maribor, Slovenia


Puni tekst: engleski pdf 2.653 Kb

str. 309-315

preuzimanja: 622

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Sažetak

In this paper, we consider a molecular descriptor called the Wiener polarity index, which is defined as the number of unordered pairs of vertices at distance three in a graph. Molecular descriptors play a fundamental role in chemistry, materials engineering, and in drug design since they can be correlated with a large number of physico-chemical properties of molecules. As the main result, we develop a method for computing the Wiener polarity index for two basic and most commonly studied families of molecular graphs, benzenoid systems and carbon nanotubes. The obtained method is then used to find a closed formula for the Wiener polarity index of any benzenoid system. Moreover, we also compute this index for zig-zag and armchair nanotubes.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Ključne riječi

Wiener polarity index, benzenoid system, zig-zag nanotube, armchair nanotube, cut method

Hrčak ID:

201149

URI

https://hrcak.srce.hr/201149

Posjeta: 905 *