About: Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions

Facets (new session)
Description
Metadata
Settings
- owl:sameAs
- Inference Rule:

About: Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions 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)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Quantum mechanical density functional theory (DFT) calculations were used to derive the most probable structures of the bambus[6]uril.OCN- and bambus[6]uril.SCN- anionic complex species. In these two C3 symmetric complexes, each of the two considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion. Quantum mechanical density functional theory (DFT) calculations were used to derive the most probable structures of the bambus[6]uril.OCN- and bambus[6]uril.SCN- anionic complex species. In these two C3 symmetric complexes, each of the two considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion. (en)
Title	Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions (en)
skos:prefLabel	Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions (en)
skos:notation	RIV/60461373:22340/12:43893335!RIV13-MSM-22340___
http://linked.open...avai/predkladatel	Fakulta chemicko-inženýrská
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	7
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	174211
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/12:43893335
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Complex structures; Thiocyanate; Cyanate; Complexation; Macrocycles; Receptors (en)
http://linked.open.../riv/klicoveSlovo	Cyanate Complex structures Receptors Thiocyanate Complexation Macrocycles
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[C7160DCFE483]
http://linked.open...i/riv/nazevZdroje	Monatshefte für Chemie
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	143
http://linked.open...iv/tvurceVysledku	Makrlík, Emanuel Toman, Petr Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000305559000001
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	0026-9247
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s00706-012-0748-y
http://localhost/t...ganizacniJednotka	22340
is http://linked.open...avai/riv/vysledek of	Theoretical study on the complexation of bambus[6]uril with the cyanate and thiocyanate anions

Faceted Search & Find service v1.16.118 as of Jun 21 2024

Alternative Linked Data Documents: ODE Content Formats:

RDF

ODATA

Microdata

About

OpenLink Virtuoso version 07.20.3240 as of Jun 21 2024, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (126 GB total memory, 58 GB memory in use)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software