ZZ polynomials for isomers of (5,6)-Fullerenes Cn with n = 20-50

Henryk Arnold Witek*, Jin Su Kang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

A compilation of ZZ polynomials (aka Zhang-Zhang polynomials or Clar covering polynomials) for all isomers of small (5,6)-fullerenes Cn with n = 20-50 is presented. The ZZ polynomials concisely summarize the most important topological invariants of the fullerene isomers: the number of Kekulé structures K, the Clar number Cl, the first Herndon number h1, the total number of Clar covers C, and the number of Clar structures. The presented results should be useful as benchmark data for designing algorithms and computer programs aiming at topological analysis of fullerenes and at generation of resonance structures for valence-bond quantum-chemical calculations.

Original languageEnglish
Article number1483
JournalSymmetry
Volume12
Issue number9
DOIs
StatePublished - 9 Sep 2020

Keywords

  • Clar covering polynomials
  • Clar covers
  • Fullerene isomers
  • Kekulé counts and Clar numbers of fullerenes
  • ZZ polynomials

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