The structure of fluoride-containing bioactive glasses: New insights from first-principles calculations and solid state NMR spectroscopy

Journal of Materials Chemistry

Volumn 22, Issue 25, 2012, Pages 12599-12608

  Pedone, Alfonso ^a   Charpentier, Thibault ^b   Menziani, Maria Cristina ^a  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNRS UMR 3299   (France)

Author keywords

[No Author keywords available]

Indexed keywords

45S5 BIOGLASS; BIOGLASSES; BIOMEDICAL APPLICATIONS; BONE BONDING; CAR-PARRINELLO MOLECULAR DYNAMICS SIMULATIONS; DEEP KNOWLEDGE; DENSITY FUNCTIONAL THEORY CALCULATIONS; EFFECTIVE HAMILTONIAN; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES CALCULATION; FLUORIDE ION; GLASS STRUCTURE; IONIC SPECIES; ISOTROPIC CHEMICAL SHIFTS; MAS NMR; MODIFIER IONS; MOLECULAR DYNAMICS SIMULATIONS; NA ATOMS; PHYSIOLOGICAL ENVIRONMENT; REDOR EXPERIMENTS; SILICATE NETWORK; SOLID-STATE NMR SPECTROSCOPY; SPATIAL PROXIMITY; STRUCTURAL MODELS;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; FLUORINE; HAMILTONIANS; IONS; MEDICAL APPLICATIONS; MODEL STRUCTURES; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHOSPHORUS; SILICATES; SILICON;

BIOACTIVE GLASS;

EID: 84862221259     PISSN: 09599428     EISSN: 13645501     Source Type: Journal    
DOI: 10.1039/c2jm30890h     Document Type: Article

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