Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms

DOI10.1007/s10910-012-0116-5zbMath1267.92060WikidataQ62511130 ScholiaQ62511130MaRDI QIDQ1936783

Ramon Carbó-Dorca

Publication date: 7 February 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-012-0116-5

zbMATH Keywords

Shannon entropy; comparison of atomic populations; cosine similarity index; Euclidian and Minkowski distances; global atomic populations; Mulliken atomic populations; Rao distribution comparison; shape populations

Mathematics Subject Classification ID

92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)

92-08: Computational methods for problems pertaining to biology

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