First-principles calculations of NMR parameters in solids (including the chemical shift, the
quadrupolar interaction for nuclei with spin quantum number I> 1/2, and the indirect J …

Surface and interfacial chemistry is of fundamental importance in functional nanomaterials
applied in catalysis, energy storage and conversion, medicine, and other nanotechnologies …

This study investigates the effect of wollastonite on the hydration and properties of
magnesium potassium phosphate (MKP) cements. In MKP cements some efflorescence can …

A polar phase of NaNbO3 has been successfully synthesized using sol-gel techniques.
Detailed characterization of this phase has been undertaken using high-resolution powder …

Aseptic loosening and bacterial infections are the two main causes of failure for metallic
implants used for joint replacement. A coating that is both bioactive and possesses …

A protocol for the structure determination of powdered solids at natural abundance by NMR
is presented and illustrated for the case of the small drug molecule thymol. The procedure …

Several naturally occurring biological materials, including bones and teeth, pathological
calcifications, microbial mineral deposits formed in marine phosphogenesis areas, as well …

K-struvite, the main hydrate of magnesium potassium phosphate (MKP) cements,
dehydrates at~ 50° C, thus elevated temperatures at service conditions could affect cement …

Solid state 1H and 31P NMR spectroscopy was used to characterize well-crystallized
hydroxyapatite samples of different stoichiometry prepared by a precipitation route. The aim …

By combining X-ray crystallography, first-principles density functional theory calculations,
and solid-state nuclear magnetic resonance spectroscopy, we have refined the crystal …