Molecular fragment shape variation index for functional groups and the holographic properties of electron density
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Publication:427467
DOI10.1007/s10910-011-9938-9zbMath1243.92059OpenAlexW2062170476MaRDI QIDQ427467
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/s10910-011-9938-9
molecular similarityreactivityfragment similarityholographic electron density theoremconformational variationselectronic excited statestransition structures
Classical flows, reactions, etc. in chemistry (92E20) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)
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Fragment shape variation index for periodicity deficiency and gradual changes of internal coordinates along linear polymers, Computation of the molecular shapes' similarity and diversity using USR method and general shape index
Cites Work
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