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rdf:type
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Description
| - By using quantum mechanical DFT calculations, the most probable structures of the bambus[6]uril.Cl-, bambus[6]uril.Br-, and bambus[6]uril.I- anionic complex species were derived. In these three complexes, each of the considered univalent halide anions, included in the center of the macrocyclic cavity, is bound by 12 weak C–H_X- (X- = Cl-, Br-, I-) hydrogen bonds between methine hydrogen atoms on the convex face of the glycoluril units and the respective anion. The lengths of the C–H_X- hydrogen bonds increase in the order Cl-/Br-/I-.
- By using quantum mechanical DFT calculations, the most probable structures of the bambus[6]uril.Cl-, bambus[6]uril.Br-, and bambus[6]uril.I- anionic complex species were derived. In these three complexes, each of the considered univalent halide anions, included in the center of the macrocyclic cavity, is bound by 12 weak C–H_X- (X- = Cl-, Br-, I-) hydrogen bonds between methine hydrogen atoms on the convex face of the glycoluril units and the respective anion. The lengths of the C–H_X- hydrogen bonds increase in the order Cl-/Br-/I-. (en)
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Title
| - Theoretical study on the complexation of bambus[6]uril with the chloride, bromide, and iodide anions
- Theoretical study on the complexation of bambus[6]uril with the chloride, bromide, and iodide anions (en)
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skos:prefLabel
| - Theoretical study on the complexation of bambus[6]uril with the chloride, bromide, and iodide anions
- Theoretical study on the complexation of bambus[6]uril with the chloride, bromide, and iodide anions (en)
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skos:notation
| - RIV/61389013:_____/11:00363235!RIV12-AV0-61389013
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GAP205/10/2280), S, Z(AV0Z40500505), Z(MSM4977751303)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61389013:_____/11:00363235
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - receptors; macrocycles; complexation (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Makrlík, E.
- Toman, Petr
- Vaňura, P.
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.1007/s00706-011-0546-y
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