Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols

Combined NMR three-bond scalar coupling measurements and QM calculations to calculate OH-rotamer equilibrium of polyalcohols

A combined but independently applied NMR and QM procedure has been used to investigate the conformational properties of the exchangeable hydroxyl protons of polyalcohols. In this study, to demonstrate the applicability of such a strategy, we investigated a simple monosaccharide, i.e. alpha- and beta...

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Veröffentlicht in:Journal of computational chemistry. - 1984. - 30(2009), 4 vom: 10. März, Seite 540-50
1. Verfasser: Kövér, Katalin E (VerfasserIn)
Weitere Verfasser: Beke, Tamás, Lipták, András, Perczel, András
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2009
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Alcohols Polymers Chloroform 7V31YC746X Glucose IY9XDZ35W2
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