About: Topological Population Analysis from Higher order Densities I: Hartree-Fock Level.     Goto   Sponge   NotDistinct   Permalink

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  • In this work we present the formulation of a topological population analysis derived from reduced density matrices of arbitrary order. We describe the construction of a mathematical framework which is suitable for handling any number of physical atomic regions. The procedure provides appropriate tools for enabling the detection and direct localization of multicenter bondings in molecules.
  • In this work we present the formulation of a topological population analysis derived from reduced density matrices of arbitrary order. We describe the construction of a mathematical framework which is suitable for handling any number of physical atomic regions. The procedure provides appropriate tools for enabling the detection and direct localization of multicenter bondings in molecules. (en)
Title
  • Topological Population Analysis from Higher order Densities I: Hartree-Fock Level.
  • Topological Population Analysis from Higher order Densities I: Hartree-Fock Level. (en)
skos:prefLabel
  • Topological Population Analysis from Higher order Densities I: Hartree-Fock Level.
  • Topological Population Analysis from Higher order Densities I: Hartree-Fock Level. (en)
skos:notation
  • RIV/67985858:_____/00:27020016!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany
  • 83;90
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(IAA4072006), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika
  • 1-3
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http://linked.open...aciTvurceVysledku
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  • 729406
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  • RIV/67985858:_____/00:27020016
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  • population analysis; multicenter bonds (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • CH - Švýcarská konfederace
http://linked.open...ontrolniKodProRIV
  • [27431507AB94]
http://linked.open...i/riv/nazevZdroje
  • Journal of Mathematical Chemistry
http://linked.open...in/vavai/riv/obor
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http://linked.open...v/svazekPeriodika
  • 28
http://linked.open...iv/tvurceVysledku
  • Ponec, Robert
  • Bochicchio, R.
  • Lain, L.
  • Torre, A.
http://linked.open...n/vavai/riv/zamer
issn
  • 0259-9791
number of pages
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