Zhang–Zhang Polynomials of Ribbons

We report a closed-form formula for the Zhang–Zhang polynomial (also known as ZZ polynomial or Clar covering polynomial) of an important class of elementary peri-condensed benzenoids Rbn1,n2,m1,m2, usually referred to as ribbons. A straightforward derivation is based on the recently developed interface theory of benzenoids [Langner and Witek, MATCH Commun. Math. Comput. Chem.2020, 84, 143–176]. The discovered formula provides compact expressions for various topological invariants of Rbn1,n2,m1,m2: the number of Kekulé structures, the number of Clar covers, its Clar number, and the number of Clar structures. The last two classes of elementary benzenoids, for which closed-form ZZ polynomial formulas remain to be found, are hexagonal flakes Ok,m,n and oblate rectangles Orm,n.

ZZ Polynomials for Isomers of (5,6)-Fullerenes Cn with n = 20–50

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.