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Description
| - By using quantum mechanical DFT calculations, the most probable structures of the cucurbit[7]uril center dot H3O+ and cucurbit[7]uril center dot(H3O+)(2) cationic complex species were derived. In these two complexes having a plane symmetry, each of the considered H3O+ cations is bound by relatively strong hydrogen bonds to the corresponding carbonyl oxygens of the parent cucurbit[7]uril macrocycle.
- By using quantum mechanical DFT calculations, the most probable structures of the cucurbit[7]uril center dot H3O+ and cucurbit[7]uril center dot(H3O+)(2) cationic complex species were derived. In these two complexes having a plane symmetry, each of the considered H3O+ cations is bound by relatively strong hydrogen bonds to the corresponding carbonyl oxygens of the parent cucurbit[7]uril macrocycle. (en)
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Title
| - Theoretical Study on the Protonation of Cucurbit[7]uril
- Theoretical Study on the Protonation of Cucurbit[7]uril (en)
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skos:prefLabel
| - Theoretical Study on the Protonation of Cucurbit[7]uril
- Theoretical Study on the Protonation of Cucurbit[7]uril (en)
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skos:notation
| - RIV/60460709:41330/13:60894!RIV14-MSM-41330___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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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/60460709:41330/13:60894
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Cucurbit[7]uril, protonation, H3O+ cation, DFT calculations, complex structures (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...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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issn
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number of pages
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http://localhost/t...ganizacniJednotka
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