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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Publié dans:	Journal of computational chemistry. - 1984. - 30(2009), 4 vom: 10. März, Seite 540-50
Auteur principal:	Kövér, Katalin E (Auteur)
Autres auteurs:	Beke, Tamás, Lipták, András, Perczel, András
Format:	Article en ligne
Langue:	English
Publié:	2009
Accès à la collection:	Journal of computational chemistry
Sujets:	Journal Article Research Support, Non-U.S. Gov't Alcohols Polymers Chloroform 7V31YC746X Glucose IY9XDZ35W2