On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)

DOI10.1007/S10910-011-9945-XMaRDI QIDQ427469zbMATH OpenOpenAlexWikidataFDO

Authors R. Carbó-Dorca, E. Besalú

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/s10910-011-9945-x

zbMATH Keywords

MEPASAdensity functions (DF)polarized ASA DFpromolecular ASA DF

Mathematics Subject Classification ID

Chemistry (92E99)

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• Position-momentum Heisenberg uncertainty in Gaussian enfoldments of euclidian space
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• Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
• EMP as a similarity measure: a geometric point of view

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