Testing the limits of sensitivity in a solid-state structural investigation by combined X-ray powder diffraction, solid-state NMR, and molecular modelling

Structure of N-(5-ethyl-[1,3,4]-thiadiazole-2-yl)toluenesulfonamide by combined X-ray powder diffraction, 13C solid-state NMR and molecular modelling

(2010) Adriana Hangan et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

First principles nuclear magnetic resonance signatures of graphene oxide

(2010)   JOURNAL OF CHEMICAL PHYSICS

NMR Crystallography of Campho[2,3-c]pyrazole (Z′ = 6): Combining High-Resolution1H-13C Solid-State MAS NMR Spectroscopy and GIPAW Chemical-Shift Calculations

(2010) Amy L. Webber et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution1H Solid-State NMR Spectroscopy

(2010) Elodie Salager et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

X-ray and NMR Crystallography in an Enzyme Active Site: The Indoline Quinonoid Intermediate in Tryptophan Synthase

(2010) Jinfeng Lai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computation and NMR crystallography of terbutaline sulfate

(2010) Robin K. Harris et al.   MAGNETIC RESONANCE IN CHEMISTRY

3-[1-(4-Sulfamoylphenyl)-5-p-tolyl-1H-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazol-3-yl]propanoic acid–dichloromethane–diethyl ether–water (2/0.72/1/1)

(2009) Isuru R. Kumarasinghe et al.   ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

Intermolecular shielding contributions studied by modeling the C13 chemical-shift tensors of organic single crystals with plane waves

(2009) Jessica C. Johnston et al.   JOURNAL OF CHEMICAL PHYSICS

CHHC and 1H–1H magnetization exchange: Analysis by experimental solid-state NMR and 11-spin density-matrix simulations

(2009) Mihaela Aluas et al.   JOURNAL OF MAGNETIC RESONANCE

Powder NMR crystallography of thymol

(2009) Elodie Salager et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data

(2008) Charlotte K. Leech et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Carbonic anhydrase inhibitors: The X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors

(2008) Anna Di Fiore et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Characterization of Polymorphs and Solvates of Terbutaline Sulfate

(2008) Robin K. Harris et al.   CRYSTAL GROWTH & DESIGN

Conformational Polymorphism in Oxybuprocaine Hydrochloride†

(2008) Ulrich J. Griesser et al.   CRYSTAL GROWTH & DESIGN

NMR crystallography of p-tert-butylcalix[4]arene host–guest complexes using 1H complexation-induced chemical shifts

(2008) Darren H. Brouwer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS