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Statements

Subject Item
n2:RIV%2F67985858%3A_____%2F00%3A27020016%21RIV%2F2003%2FAV0%2FA27003%2FN
rdf:type
skos:Concept n13:Vysledek
dcterms:description
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.
dcterms:title
Topological Population Analysis from Higher order Densities I: Hartree-Fock Level. Topological Population Analysis from Higher order Densities I: Hartree-Fock Level.
skos:prefLabel
Topological Population Analysis from Higher order Densities I: Hartree-Fock Level. Topological Population Analysis from Higher order Densities I: Hartree-Fock Level.
skos:notation
RIV/67985858:_____/00:27020016!RIV/2003/AV0/A27003/N
n3:strany
83;90
n3:aktivita
n5:Z n5:P
n3:aktivity
P(IAA4072006), Z(AV0Z4072921)
n3:cisloPeriodika
1-3
n3:dodaniDat
n9:2003
n3:domaciTvurceVysledku
n15:9028404
n3:druhVysledku
n10:J
n3:duvernostUdaju
n7:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
729406
n3:idVysledku
RIV/67985858:_____/00:27020016
n3:jazykVysledku
n14:eng
n3:klicovaSlova
population analysis; multicenter bonds
n3:klicoveSlovo
n4:multicenter%20bonds n4:population%20analysis
n3:kodStatuVydavatele
CH - Švýcarská konfederace
n3:kontrolniKodProRIV
[27431507AB94]
n3:nazevZdroje
Journal of Mathematical Chemistry
n3:obor
n16:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:pocetUcastnikuAkce
0
n3:pocetZahranicnichUcastnikuAkce
0
n3:projekt
n17:IAA4072006
n3:rokUplatneniVysledku
n9:2000
n3:svazekPeriodika
28
n3:tvurceVysledku
Bochicchio, R. Ponec, Robert Torre, A. Lain, L.
n3:zamer
n12:AV0Z4072921
s:issn
0259-9791
s:numberOfPages
8