Enumerating and indexing many-body intramolecular interactions: a graph theoretic approach

DOI10.1007/s10910-015-0510-xzbMath1331.81285OpenAlexW261617602WikidataQ40597505 ScholiaQ40597505MaRDI QIDQ493717

Peter J. Wilde, Robert Penfold

Publication date: 4 September 2015

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-015-0510-x

zbMATH Keywords

graph theorycomputer simulationmolecular modelling

Mathematics Subject Classification ID

Applications of graph theory (05C90) (n)-body potential quantum scattering theory (81U10) Molecular physics (81V55)

Cites Work

• Spectra of graphs
• The Wiener index in iterated line graphs
• Graph derivatives
• Planarity of iterated line graphs
• The interchange graph of a finite graph
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