scientific article; zbMATH DE number 1522766

MaRDI QIDQ4511047zbMATH OpenFDO

Authors Philippe Vismara, Claude Laurenço

Publication date 16 July 2001

zbMATH Keywords

abstract representation of moleculesmolecular graphpolynomial algorithm

Mathematics Subject Classification ID

Paths and cycles (05C38) Graph algorithms (graph-theoretic aspects) (05C85) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• Relevant cycle hypergraph representation for molecules
• Enumerating and indexing many-body intramolecular interactions: a graph theoretic approach
• The vertex graphical condensation for algebraic structure count of molecular graphs
• Computing cyclic invariants for molecular graphs

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