Convexity deficit of benzenoids

  • Nino Bašić
  • , Sarah J. Berkemer
  • , Jörg Fallmann
  • , Patrick W. Fowler
  • , Thomas Gatter
  • , Tomaž Pisanski
  • , Nancy Retzlaff
  • , Peter F. Stadler
  • , Sara Sabrina Zemljič

Research output: Contribution to journalArticlepeer-review

Abstract

In 2012, a family of benzenoids was introduced by Cruz, Gutman, and Rada, which they called convex benzenoids. In this paper we introduce the convexity deficit, a new topological index intended for benzenoids and, more generally, fusenes. This index measures by how much a given fusene departs from convexity. It is defined in terms of the boundary-edges code. In particular, convex benzenoids are exactly the benzenoids having convexity deficit equal to 0. Quasi-convex benzenoids form the family of non-convex benzenoids that are closest to convex, i.e., they have convexity deficit equal to 1. Finally, we investigate convexity deficit of several important families of benzenoids.

Original languageEnglish
Pages (from-to)457-466
Number of pages10
JournalCroatica Chemica Acta
Volume92
Issue number4
DOIs
Publication statusPublished - 1 Jan 2020
Externally publishedYes

Keywords

  • Benzenoid
  • Convex benzenoid
  • Convexity deficit
  • Fusene
  • Pseudo-convex benzenoid
  • Quasi-convex benzenoid

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