Applications of NMR Crystallography to Problems in Biomineralization: Refinement of the Crystal Structure and P Solid-State NMR Spectral Assignment of Octacalcium Phosphate.

By combining X-ray crystallography, first-principles density functional theory calculations, and solid-state nuclear magnetic resonance spectroscopy, we have refined the crystal structure of octacalcium phosphate (OCP), reassigned its P NMR spectrum, and identified an extended hydrogen-bonding netwo...

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Publicado en:	Journal of the American Chemical Society Vol. 134; no. 30; pp. 12508 - 12516
Autores principales:	Davies, Erika, Duer, Melinda J., Ashbrook, Sharon E., Griffin, John M.
Formato:	Artículo
Publicado:	American Chemical Society 8/1/2012
Materias:	Crystal structure research Calcium phosphate Structural analysis (Science) Nuclear magnetic resonance spectroscopy Density functionals X-ray crystallography
Acceso en línea:	Ver este registro en EBSCOhost