Computing Degeneracies of the Most Important Structures of Polycyclic Aromatic Hydrocarbons

Scientific paper - Original scientific paper

• Author: Tomislav Došlić
• Author's institution: University of Zagreb; Faculty of Civil Engineering
• Scientific / art field, discipline and subdiscipline: NATURAL SCIENCES; Mathematics

Abstract (english)

We construct bijections between certain energetically favorable resonance-like structures in several classes of benzenoid compounds and some well-known combinatorial structures enumerated by Catalan and related numbers. In that way we derive explicit formulas for the number of such structures in the considered classes of compounds. We also list some open problems and indicate some possible directions for future research.

• Keywords (english): benzenoid graphs, perfect matching, Kekulé structure, degeneracy, Dyck path, Narayana numbers.
• Language: english
• Publication type: Scientific paper - Original scientific paper
• Publication status: Published
• Peer review: Peer review - international
• Publication version: Published version
• Journal title: Croatica chemica acta
• Numbering: vol. 93, no. 4, pp. 279-287
• e-ISSN: 1334-417X
• DOI: https://doi.org/10.5562/cca3752
• URN:NBN: urn:nbn:hr:237:055615
• Publication: 2020
• Type of resource: Text
• Access conditions: Open access
• Created on: 2024-09-05 06:36:29