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On the solid-state NMR spectra of naproxen
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SYSNO ASEP 0439621 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název On the solid-state NMR spectra of naproxen Tvůrce(i) Czernek, Jiří (UMCH-V) RID Zdroj.dok. Chemical Physics Letters. - : Elsevier - ISSN 0009-2614
Roč. 619, 5 January (2015), s. 230-235Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova pharmaceuticals ; NMR crystallography Vědní obor RIV CD - Makromolekulární chemie CEP GA14-03636S GA ČR - Grantová agentura ČR Institucionální podpora UMCH-V - RVO:61389013 UT WOS 000347104600045 EID SCOPUS 84920747015 DOI 10.1016/j.cplett.2014.11.031 Anotace 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. Pracoviště Ústav makromolekulární chemie Kontakt Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Rok sběru 2015
Počet záznamů: 1