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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F12%3A39896027%21RIV13-MSM-25310___
rdf:type
n6:Vysledek skos:Concept
dcterms:description
GaGeTe7 amorphous material was studied. The amorphous model is formed by cycles bonded by chains which was analyzed on the ab-initio calculations basis. DFT level with PBE-sol exchange-corelation function was used for the calculations of big model (216 or 540 atoms). Small clusters (up to 30 atoms) were calculated with PBE exchange-corelation functional and DGDZVP basis set on Gausian 09 code. GaGeTe7 amorphous material was studied. The amorphous model is formed by cycles bonded by chains which was analyzed on the ab-initio calculations basis. DFT level with PBE-sol exchange-corelation function was used for the calculations of big model (216 or 540 atoms). Small clusters (up to 30 atoms) were calculated with PBE exchange-corelation functional and DGDZVP basis set on Gausian 09 code.
dcterms:title
Structure of glassy GaGeTe studied by ab-initio molecular modeling: Ga atoms location Structure of glassy GaGeTe studied by ab-initio molecular modeling: Ga atoms location
skos:prefLabel
Structure of glassy GaGeTe studied by ab-initio molecular modeling: Ga atoms location Structure of glassy GaGeTe studied by ab-initio molecular modeling: Ga atoms location
skos:notation
RIV/00216275:25310/12:39896027!RIV13-MSM-25310___
n6:predkladatel
n13:orjk%3A25310
n3:aktivita
n17:P
n3:aktivity
P(EE2.3.20.0254)
n3:dodaniDat
n5:2013
n3:domaciTvurceVysledku
n8:1580388 n8:6880983
n3:druhVysledku
n15:O
n3:duvernostUdaju
n11:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
171892
n3:idVysledku
RIV/00216275:25310/12:39896027
n3:jazykVysledku
n12:eng
n3:klicovaSlova
PBE; DFT; molecular modeling; chalcogenide glass
n3:klicoveSlovo
n7:PBE n7:chalcogenide%20glass n7:DFT n7:molecular%20modeling
n3:kontrolniKodProRIV
[05E736FAEE87]
n3:obor
n16:CA
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:projekt
n4:EE2.3.20.0254
n3:rokUplatneniVysledku
n5:2012
n3:tvurceVysledku
Voleská, Iva Wágner, Tomáš Akola, Jaakko
n18:organizacniJednotka
25310