Assigning carbon-13 NMR spectra to crystal structures by the INADEQUATE pulse sequence and first principles computation: a case study of two forms of testosterone†
Abstract
A
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* Corresponding authors
a
Department of Chemistry, University of Durham, South Road, Durham, UK
E-mail:
r.k.harris@durham.ac.uk
Fax: +44 (0)191 384 4737
b TCM Group, Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge, UK
c Laboratoire de Chimie (UMR 5182 ENS/CNRS), Laboratoire de Recherche Conventionné du CEA (DSV 23V/DSM 0432), L’Ecole Normale Supérieure de Lyon, 46 Allée d’Italie, Lyon, France
A
R. K. Harris, S. A. Joyce, C. J. Pickard, S. Cadars and L. Emsley, Phys. Chem. Chem. Phys., 2006, 8, 137 DOI: 10.1039/B513392K
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