About: Theoretical study on the complexation of bambus[6]uril with the fluoride anion

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About: Theoretical study on the complexation of bambus[6]uril with the fluoride anion Goto Sponge NotDistinct Permalink

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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	By using quantum mechanical DFT calculations, the most probable structure of the bambus[6]uril?F? anionic complex species was derived. In this complex having C3 symmetry, the fluoride anion F?, included in the macrocyclic cavity, is bound by six weak C-H?F? hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the considered F? ion. By using quantum mechanical DFT calculations, the most probable structure of the bambus[6]uril?F? anionic complex species was derived. In this complex having C3 symmetry, the fluoride anion F?, included in the macrocyclic cavity, is bound by six weak C-H?F? hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the considered F? ion. (en)
Title	Theoretical study on the complexation of bambus[6]uril with the fluoride anion Theoretical study on the complexation of bambus[6]uril with the fluoride anion (en)
skos:prefLabel	Theoretical study on the complexation of bambus[6]uril with the fluoride anion Theoretical study on the complexation of bambus[6]uril with the fluoride anion (en)
skos:notation	RIV/60461373:22340/12:43893241!RIV13-MSM-22340___
http://linked.open...avai/riv/aktivita	I P S Z
http://linked.open...avai/riv/aktivity	I, P(GAP205/10/2280), S, Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Vaňura, Petr
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	174212
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/12:43893241
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Structure; DFT; Complexation; Fluoride anion; Bambus[6]uril (en)
http://linked.open.../riv/klicoveSlovo	Fluoride anion Bambus[6]uril Complexation DFT Structure
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[92774CD61BAF]
http://linked.open...i/riv/nazevZdroje	Computational and Theoretical Chemistry
http://linked.open...in/vavai/riv/obor	CB
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Photogeneration and charge transport in molecular semiconductors for organic photovoltaics
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	989
http://linked.open...iv/tvurceVysledku	Makrlík, Emanuel Toman, Petr Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000303908600015
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie
issn	2210-271X
number of pages	3 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.comptc.2012.03.001
http://localhost/t...ganizacniJednotka	22340

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