ZZ polynomial of regular m-tier benzenoid strips as extended strict order polynomials of associated posets. I: Proof of equivalence

DOI10.46793/MATCH.87-3.585LzbMATH Open1492.92155arXiv2103.07271OpenAlexW3217144930MaRDI QIDQ5091508FDOQ5091508

Authors: Johanna Langner, Henryk A. Witek 

Publication date: 26 July 2022

Published in: MATCH Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Abstract: In Part 1 of the current series of papers, we demonstrate the equivalence between the Zhang-Zhang polynomial $$ of a Kekul'ean regular $m$-tier strip $$ of length $n$ and the extended strict order polynomial $ext{E}_{mathcalS}^{circ}(n,x+1)$ of a certain partially ordered set (poset) $mathcalS$ associated with $$. The discovered equivalence is a consequence of the one-to-one correspondence between the set $leftKight$ of Kekul'e structures of $$ and the set $leftmu:mathcalSsupsetmathcalAightarrowleft[,n,ight]ight$ of strictly order-preserving maps from the induced subposets of $mathcalS$ to the interval $left[hinspacenhinspaceight]$. As a result, the problems of determining the Zhang-Zhang polynomial of $$ and of generating the complete set of Clar covers of $$ reduce to the problem of constructing the set $mathcalL(mathcalS)$ of linear extensions of the corresponding poset $mathcalS$ and studying their basic properties. In particular, the Zhang-Zhang polynomial of $$ can be written in a compact form as $$, where $extdes(w)$ and $ext{fix}_{mathcalS}(w)$ denote the number of descents and the number of fixed labels, respectively, in the linear extension $winmathcalL(mathcalS)$.

Full work available at URL: https://arxiv.org/abs/2103.07271

Recommendations

• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 2. Guide to practical computation
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 3. Compilation of results for \(m = 1 - 6\)
• Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips
• Zhang-Zhang polynomials of regular 5-tier benzenoid strips
• Closed-form formulas for the Zhang-Zhang polynomials of benzenoid structures: prolate rectangles and their generalizations

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

Cited In (8)

• Zhang-Zhang polynomials of phenylenes and benzenoid graphs
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 2. Guide to practical computation
• ZZ polynomials of regular \(m\)-tier benzenoid strips as extended strict order polynomials of associated posets. Part 3. Compilation of results for \(m = 1 - 6\)
• Zhang-Zhang polynomials of regular 5-tier benzenoid strips
• Enumeration of Clar covers of parallelogram chains
• Clar covers and Zhang-Zhang polynomials of zigzag and armchair carbon nanotubes
• Zhang-Zhang polynomials of regular 3- and 4-tier benzenoid strips
• The \(h^\ast\)-polynomial of the order polytope of the zig-zag poset

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