Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state 1H NMR spectroscopyElectronic supplementary information (ESI) available: Unassigned comparisons, CIF coordinate files, CASTEP output files. See DOI: 10.1039/c3cp41095a

A protocol for the ab initio crystal structure determination of powdered solids at natural isotopic abundance by combining solid-state NMR spectroscopy, crystal structure prediction, and DFT chemical shift calculations was evaluated to determine the crystal structures of four small drug molecules: c...

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Hauptverfasser:	Baias, Maria, Widdifield, Cory M, Dumez, Jean-Nicolas, Thompson, Hugh P. G, Cooper, Timothy G, Salager, Elodie, Bassil, Sirena, Stein, Robin S, Lesage, Anne, Day, Graeme M, Emsley, Lyndon
Format:	Artikel
Sprache:	eng
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