Weighted Wiener Indices of Molecular Graphs with Application to Alkenes and Alkadienes

Simon Brezovnik, Niko Tratnik and Petra Žigert Pleteršek
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Simon Brezovnik: Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia
Niko Tratnik: Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia
Petra Žigert Pleteršek: Faculty of Natural Sciences and Mathematics, University of Maribor, 2000 Maribor, Slovenia

Mathematics, 2021, vol. 9, issue 2, 1-16

Abstract: There exist many topological indices that are calculated on saturated hydrocarbons since they can be easily modelled by simple graphs. On the other hand, it is more challenging to investigate topological indices for hydrocarbons with multiple bonds. The purpose of this paper is to introduce a simple model that gives good results for predicting physico-chemical properties of alkenes and alkadienes. In particular, we are interested in predicting boiling points of these molecules by using the well known Wiener index and its weighted versions. By performing the non-linear regression analysis we predict boiling points of alkenes and alkadienes.

Keywords: weighted Wiener index; alkenes; alkadienes; boiling point (search for similar items in EconPapers)
JEL-codes: C (search for similar items in EconPapers)
Date: 2021
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