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Statements

Subject Item
n2:RIV%2F60460709%3A41330%2F13%3A60892%21RIV14-MSM-41330___
rdf:type
n5:Vysledek skos:Concept
dcterms:description
By using quantum-mechanical DFT calculations, the most probable structure of the cucurbit[5]uril center dot H3O+ cationic complex species was derived. In this complex, the hydroxonium cation H3O+ is bound by one linear hydrogen bond and two bifurcated hydrogen bonds to the five corresponding carbonyl oxygens of the parent macrocyclic receptor. By using quantum-mechanical DFT calculations, the most probable structure of the cucurbit[5]uril center dot H3O+ cationic complex species was derived. In this complex, the hydroxonium cation H3O+ is bound by one linear hydrogen bond and two bifurcated hydrogen bonds to the five corresponding carbonyl oxygens of the parent macrocyclic receptor.
dcterms:title
On the protonation of cucurbit[5]uril On the protonation of cucurbit[5]uril
skos:prefLabel
On the protonation of cucurbit[5]uril On the protonation of cucurbit[5]uril
skos:notation
RIV/60460709:41330/13:60892!RIV14-MSM-41330___
n5:predkladatel
n6:orjk%3A41330
n3:aktivita
n14:S
n3:aktivity
S
n3:cisloPeriodika
6
n3:dodaniDat
n4:2014
n3:domaciTvurceVysledku
n11:9843167
n3:druhVysledku
n15:J
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
93944
n3:idVysledku
RIV/60460709:41330/13:60892
n3:jazykVysledku
n17:eng
n3:klicovaSlova
Cucurbiturils, Macrocycles, Protonation, Ab initio calculations, Complex structure
n3:klicoveSlovo
n7:Macrocycles n7:Cucurbiturils n7:Protonation n7:Complex%20structure n7:Ab%20initio%20calculations
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[96C7F30B21D9]
n3:nazevZdroje
MONATSHEFTE FUR CHEMIE
n3:obor
n18:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
3
n3:rokUplatneniVysledku
n4:2013
n3:svazekPeriodika
144
n3:tvurceVysledku
Toman, Petr Makrlík, Emanuel Vaňura, Petr
n3:wos
000318870600008
s:issn
0026-9247
s:numberOfPages
4
n13:organizacniJednotka
41330