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rdf:type
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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)
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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)
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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)
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skos:notation
| - RIV/60461373:22340/12:43893241!RIV13-MSM-22340___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - I, P(GAP205/10/2280), S, Z(AV0Z40500505)
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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/60461373:22340/12:43893241
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Structure; DFT; Complexation; Fluoride anion; Bambus[6]uril (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
| - Computational and Theoretical Chemistry
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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, Emanuel
- Toman, Petr
- Vaňura, Petr
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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
| - 10.1016/j.comptc.2012.03.001
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http://localhost/t...ganizacniJednotka
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