About: The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	DFT metoda byla použita k modelování klastrů zlata a platiny do velikosti Au25 and Pt25 a jejich interakcí s organickými molekulami. Byly nalezeny meziprodukty a přechodové stavy tvorby ethylen oxidu na klastrech zlata a platiny různé velikosti. Pro oba systémy byl modelován vliv elektrického pole. (cs) DFT method was used for the modeling of gold and platinum clusters up to size Au25 and Pt25 and their interaction with organic molecules. Gold tips in the study of the interactions of molecules exhibiting the negative differential resistance behavior were modeled by gold clusters of the size yp ro Au7. The intermediates and transition states were found for the ethylene oxide formation at larger Au and Pt clusters. The influence of the static electric field was modeled for both systems. DFT method was used for the modeling of gold and platinum clusters up to size Au25 and Pt25 and their interaction with organic molecules. Gold tips in the study of the interactions of molecules exhibiting the negative differential resistance behavior were modeled by gold clusters of the size yp ro Au7. The intermediates and transition states were found for the ethylene oxide formation at larger Au and Pt clusters. The influence of the static electric field was modeled for both systems. (en)
Title	The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters Modelování interakcí organických molekul se zlatými a platinovými klastry (cs) The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters (en)
skos:prefLabel	The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters Modelování interakcí organických molekul se zlatými a platinovými klastry (cs) The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters (en)
skos:notation	RIV/61388955:_____/06:00049084!RIV07-AV0-61388955
http://linked.open.../vavai/riv/strany	1544;1546
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1ET400400413), Z(AV0Z10100520), Z(AV0Z40400503)
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Samec, Zdeněk Záliš, Stanislav Šebera, Jakub
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	486180
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/06:00049084
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	interaction; organic molecules; clusters (en)
http://linked.open.../riv/klicoveSlovo	clusters interaction organic molecules
http://linked.open...ontrolniKodProRIV	[6D8BDEA4ACC4]
http://linked.open...v/mistoKonaniAkce	Chania
http://linked.open...i/riv/mistoVydani	Leiden
http://linked.open...i/riv/nazevZdroje	Recent Progress in Computational Sciences and Engineering
http://linked.open...in/vavai/riv/obor	CG
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Development of a program environment for mathematic simulations and predictions in catalysis and electrocatalysis
http://linked.open...UplatneniVysledku	2006
http://linked.open...iv/tvurceVysledku	Kratochvílová, Irena Záliš, Stanislav Šebera, Jakub Samec, Zdeněk
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2006-10-27 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Specific effects in condensed systems with reduced dimension and broken symmetry Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
number of pages	3 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Brill Academic Publishers
https://schema.org/isbn	90-04-15542-2
is http://linked.open...avai/riv/vysledek of	The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters The Modeling of the Interaction of Organic Molecules with Gold and Platinum Clusters

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