Geometrical structure, nuclear magnetic resonance (N1,1It) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (SiCNTs). Geometrical structures of SieNTs, Sit bonds and bond angles of St and Cvertices in both zigzag and armchair nanotubes, Indicate that bond lengths are appr...

This study uses the analysis of 13C nuclear magnetic resonance (NMR) spectra and NMR relaxation parameters to study the structure and functional group distribution of a fulvic acid and a humic acid. The spectra and relaxation parameters are obtained with a new cross polarization magic angle spinning (CP-MAS) 13C NMR technique that gives qualitatively and quantitatively accurate results at highe...

The structure and dynamics of the Dickerson DNA dodecamer [5'd(CGCGAATTCGCG)2] in solution have been investigated by joint simulated annealing refinement against NMR and large-angle X-ray scattering data (extending from 0.25 to 3 A-1). The NMR data comprise an extensive set of hetero- and homonuclear residual dipolar coupling and 31P chemical shift anisotropy restraints in two alignment media, ...

NMR crystallography has recently been applied to great effect for silica zeolites. Here we investigate whether it is possible to extend the structural information available from routine NMR spectra via a simple structure-spectrum relationship. Unlike previous empirically derived relationships that have compared experimental crystal structures for (often disordered) silicates with experimental N...

We describe how nuclear magnetic resonance (NMR) spectroscopy can serve as a substrate for the implementation of classical logic gates. The approach exploits the inherently continuous nature of the NMR parameter space. We show how simple continuous NAND gates with sin/sin and sin/sinc characteristics arise from the NMR parameter space. We use these simple continuous NAND gates as starting point...

Sodium niobate (NaNbO(3)) has a particularly complex phase diagram, with a series of phase transitions as a function of temperature and pressure, and even at room temperature a number of different structural variations have been suggested. Recent work has demonstrated that bulk powders of NaNbO(3), prepared using a variety of synthetic approaches, contain a mixture of perovskite phases; the com...