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Statements

Subject Item
n2:RIV%2F61389013%3A_____%2F15%3A00439621%21RIV15-GA0-61389013
rdf:type
n8:Vysledek skos:Concept
dcterms:description
Two previous measurements of the 13C and 1H NMR isotropic chemical shifts in crystalline naproxen, which is an important pharmaceutical compound, are confronted with the results obtained from several theoretical approaches capable of the proper treatment of solid-phase effects. In the underlying geometrical optimizations, two crystal structures are considered. The agreement between the data sets is quantified, including an evaluation of the similarity between the experimental solid-state NMR spectra. The 13C–1H heteronuclear correlations are analyzed, and their various assignments are discussed employing the statistical treatment of the differences between the measured and theoretical isotropic chemical shifts. Two previous measurements of the 13C and 1H NMR isotropic chemical shifts in crystalline naproxen, which is an important pharmaceutical compound, are confronted with the results obtained from several theoretical approaches capable of the proper treatment of solid-phase effects. In the underlying geometrical optimizations, two crystal structures are considered. The agreement between the data sets is quantified, including an evaluation of the similarity between the experimental solid-state NMR spectra. The 13C–1H heteronuclear correlations are analyzed, and their various assignments are discussed employing the statistical treatment of the differences between the measured and theoretical isotropic chemical shifts.
dcterms:title
On the solid-state NMR spectra of naproxen On the solid-state NMR spectra of naproxen
skos:prefLabel
On the solid-state NMR spectra of naproxen On the solid-state NMR spectra of naproxen
skos:notation
RIV/61389013:_____/15:00439621!RIV15-GA0-61389013
n3:aktivita
n4:I n4:P
n3:aktivity
I, P(GA14-03636S)
n3:cisloPeriodika
5 January
n3:dodaniDat
n6:2015
n3:domaciTvurceVysledku
n9:7106831
n3:druhVysledku
n17:J
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n14:predkladatel
n3:idSjednocenehoVysledku
332
n3:idVysledku
RIV/61389013:_____/15:00439621
n3:jazykVysledku
n16:eng
n3:klicovaSlova
pharmaceuticals; NMR crystallography
n3:klicoveSlovo
n7:pharmaceuticals n7:NMR%20crystallography
n3:kodStatuVydavatele
NL - Nizozemsko
n3:kontrolniKodProRIV
[17F8C9C925DD]
n3:nazevZdroje
Chemical Physics Letters
n3:obor
n18:CD
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
1
n3:projekt
n5:GA14-03636S
n3:rokUplatneniVysledku
n6:2015
n3:svazekPeriodika
619
n3:tvurceVysledku
Czernek, Jiří
n3:wos
000347104600045
s:issn
0009-2614
s:numberOfPages
6
n15:doi
10.1016/j.cplett.2014.11.031