Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model

Copyright © 2015 John Wiley & Sons, Ltd.

Détails bibliographiques
Publié dans:Magnetic resonance in chemistry : MRC. - 1985. - 54(2016), 4 vom: 30. Apr., Seite 298-307
Auteur principal: Pierens, Gregory K (Auteur)
Autres auteurs: Venkatachalam, T K, Reutens, David C
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Magnetic resonance in chemistry : MRC
Sujets:Comparative Study Journal Article Research Support, Non-U.S. Gov't DFT calculations NMR benzimidazoles benzothiazoles benzoxazoles chemical shifts solvent effects plus... Benzimidazoles Benzothiazoles Benzoxazoles Solvents