Applications of NMR crystallography to problems in biomineralization: Refinement of the crystal structure and 31P solid-state NMR spectral assignment of octacalcium phosphate

Journal of the American Chemical Society

Volumn 134, Issue 30, 2012, Pages 12508-12515

  Davies, Erika ^a   Duer, Melinda J ^a   Ashbrook, Sharon E ^b   Griffin, John M ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BONE MINERALS; DIFFRACTION TECHNIQUES; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HYDRATION STATE; HYDROGEN BONDING NETWORK; NMR CRYSTALLOGRAPHY; NMR SPECTRUM; OCTACALCIUM PHOSPHATE; PRECURSOR PHASE; SOLID STATE NMR; SOLID STATE NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SPECTRAL ASSIGNMENTS; STRUCTURAL STABILITIES; WATER NETWORKS;

BIOMINERALIZATION; BONE; CALCULATIONS; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; HYDROGEN; MECHANICAL PROPERTIES; STABILITY; X RAY CRYSTALLOGRAPHY;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CALCIUM PHOSPHATE;

ARTICLE; BIOMINERALIZATION; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; HYDRATION; HYDROGEN BOND; PHOSPHORUS NUCLEAR MAGNETIC RESONANCE; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

CALCIUM PHOSPHATES; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; QUANTUM THEORY; WATER;

EID: 84864451826     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja3017544     Document Type: Article

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