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Description
| - The stability constant of the complex of hexaarylbenzene (HAB) - based receptor and ammonium cation in nitrobenzene saturated with water was determined from extraction experiments and gamma-activity measurements. Further, using quantum chemical DFT calculations, two most probable structures of the studied complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex, having C_3 symmetry, the ammonium cation synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom via cation-pi interaction.
- The stability constant of the complex of hexaarylbenzene (HAB) - based receptor and ammonium cation in nitrobenzene saturated with water was determined from extraction experiments and gamma-activity measurements. Further, using quantum chemical DFT calculations, two most probable structures of the studied complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex, having C_3 symmetry, the ammonium cation synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom via cation-pi interaction. (en)
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Title
| - Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor
- Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor (en)
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skos:prefLabel
| - Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor
- Experimental and DFT study on the complexation of NH4+ with a hexaarylbenzene-based receptor (en)
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skos:notation
| - RIV/61389013:_____/10:00346358!RIV11-GA0-61389013
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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:_____/10:00346358
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - extraction; DFT; 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
| - Journal of Molecular Structure
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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.
- Rathore, R.
- Toman, Petr
- Vaňura, P.
- Selucký, 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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