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Statements

Subject Item
n2:RIV%2F61389013%3A_____%2F07%3A00080915%21RIV07-AV0-61389013
rdf:type
n11:Vysledek skos:Concept
dcterms:description
By using quantum mechanical DFT calculations, the most probable structure of the 1.H3O+ complex species was predicted. In this complex, the hydroxonium ion H3O+ is bound partly to three carbonyl oxygen atoms by strong hydrogen bonds and partly to three alternate phenoxy oxygens by somewhat weaker hydrogen bonds. Pomocí kvantově chemických DFT výpočtů byla stanovena nejpravděpodobnější struktura komplexu H3O+ s hexaethyl calix[6]arene hexaacetate. V tomto komplexu je hydroxoniový ion vázán ke třem karbonylovým atomům kyslíku silnými vodíkovými vazbami a ke třem fenoxylovým atomům kyslíku poněkud slabšími vodíkovými vazbami. By using quantum mechanical DFT calculations, the most probable structure of the 1.H3O+ complex species was predicted. In this complex, the hydroxonium ion H3O+ is bound partly to three carbonyl oxygen atoms by strong hydrogen bonds and partly to three alternate phenoxy oxygens by somewhat weaker hydrogen bonds.
dcterms:title
Experimentální a teoretické studium komplexace H3O+ s hexaethyl calix[6]arene hexaacetate Combined experimental and theoretical study on the complexation of H3O+ with hexaethyl calix[6]arene hexaacetate Combined experimental and theoretical study on the complexation of H3O+ with hexaethyl calix[6]arene hexaacetate
skos:prefLabel
Combined experimental and theoretical study on the complexation of H3O+ with hexaethyl calix[6]arene hexaacetate Experimentální a teoretické studium komplexace H3O+ s hexaethyl calix[6]arene hexaacetate Combined experimental and theoretical study on the complexation of H3O+ with hexaethyl calix[6]arene hexaacetate
skos:notation
RIV/61389013:_____/07:00080915!RIV07-AV0-61389013
n3:strany
519;525
n3:aktivita
n4:Z n4:P
n3:aktivity
P(1ET400500402), Z(AV0Z40500505)
n3:cisloPeriodika
4
n3:dodaniDat
n9:2007
n3:domaciTvurceVysledku
n5:1518755
n3:druhVysledku
n7:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
414150
n3:idVysledku
RIV/61389013:_____/07:00080915
n3:jazykVysledku
n13:eng
n3:klicovaSlova
hydroxonium cation; calixarene compound; water-nitrobenzene system
n3:klicoveSlovo
n10:calixarene%20compound n10:water-nitrobenzene%20system n10:hydroxonium%20cation
n3:kodStatuVydavatele
DE - Spolková republika Německo
n3:kontrolniKodProRIV
[BAE2D000C19E]
n3:nazevZdroje
Zeitschrift für Physikalische Chemie : International Journal of Research in Physical Chemistry & Chemical Physics
n3:obor
n15:CD
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
4
n3:projekt
n14:1ET400500402
n3:rokUplatneniVysledku
n9:2007
n3:svazekPeriodika
221
n3:tvurceVysledku
Lang, J. Dybal, Jiří Vaňura, P. Makrlík, E.
n3:zamer
n17:AV0Z40500505
s:issn
0942-9352
s:numberOfPages
7