Fragment shape variation index for periodicity deficiency and gradual changes of internal coordinates along linear polymers

DOI10.1007/s10910-011-9939-8zbMath1244.92063OpenAlexW2014087247MaRDI QIDQ427451

Paul G. Mezey, Eva Simon

Publication date: 13 June 2012

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

Full work available at URL: https://doi.org/10.1007/s10910-011-9939-8

zbMATH Keywords

molecular similaritycommon structural detail variationsfragment similarityholographic electron density theoremmolecular fragmentationdeficient periodicityfragment shape variation index for linear polymers

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Molecular fragment shape variation index for functional groups and the holographic properties of electron density

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