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Description
| - Pomocí DFT výpočtů byla odvozena nejpravděpodobnější struktura komplexu p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide) H3O+. V tomto komplexu je hydroxoniový ion vázán především ke třem fenoxylovým atomům kyslíku silnými vodíkovými vazbami a částečně též ke zbývajícímu fenoxylovému atomu kyslíku dvěma slabšími vodíkovými vazbami. (cs)
- By using DFT calculations, the most probable structure of the p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide) H3O+ complex species was derived. In this complex, the hydroxonium ion H3O+ is predominantly bound by strong hydrogen bonds to three phenoxy oxygens of the ligand and partly to the remaining phenoxy oxygen atom by two somewhat weaker hydrogen bonds.
- By using DFT calculations, the most probable structure of the p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide) H3O+ complex species was derived. In this complex, the hydroxonium ion H3O+ is predominantly bound by strong hydrogen bonds to three phenoxy oxygens of the ligand and partly to the remaining phenoxy oxygen atom by two somewhat weaker hydrogen bonds. (en)
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Title
| - Contribution to the protonation of calix[4]arene: DFT calculated structure of protonated p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide)
- Contribution to the protonation of calix[4]arene: DFT calculated structure of protonated p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide) (en)
- Příspěvek k protonaci calix[4]arenu: Struktura protonovaného p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamidu) vypočítaná DFT metodou (cs)
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skos:prefLabel
| - Contribution to the protonation of calix[4]arene: DFT calculated structure of protonated p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide)
- Contribution to the protonation of calix[4]arene: DFT calculated structure of protonated p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamide) (en)
- Příspěvek k protonaci calix[4]arenu: Struktura protonovaného p-tert-butylcalix[4]arenetetrakis(N,N-diethylacetamidu) vypočítaná DFT metodou (cs)
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skos:notation
| - RIV/61389013:_____/07:00083760!RIV08-AV0-61389013
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(1ET400500402), 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/61389013:_____/07:00083760
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - calixarenes; macrocycles; protonation (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
| - Dybal, Jiří
- Makrlík, E.
- Vaňura, P.
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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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