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 graphconjugated moleculeEdmonds matching algorithmKekulé structure

Mathematics Subject Classification ID

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

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Cited in

(3)

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

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