Assigning a kekulé structure to a conjugated molecule

DOI10.1016/0097-8485(94)00035-DMaRDI QIDQ4834401zbMATH OpenOpenAlexFDO

Authors Pierre Hansen, Maolin Zheng

Publication date 30 May 1995

Published in Computers & Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0097-8485(94)00035-d

zbMATH Keywords

chemical graphKekulé structureconjugated moleculeEdmonds matching algorithm

Mathematics Subject Classification ID

Applications of graph theory (05C90) Edge subsets with special properties (factorization, matching, partitioning, covering and packing, etc.) (05C70) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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(3)

• Graph theory for alternating hydrocarbons with attached ports
• Criteria for a structure to be mesoionic
• Applications of perfect matchings in chemistry

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