Structure and transformation of amorphous calcium carbonate: A solid-state 43Ca NMR and computational molecular dynamics investigation

Chemistry of Materials

Volumn 24, Issue 10, 2012, Pages 1828-1836

  Singer, Jared Wesley ^a   Yazaydin, A Özgür ^b,c   Kirkpatrick, R James ^d   Bowers, Geoffrey M ^a,e  

^a ALFRED UNIVERSITY   (United States)

^b UNIVERSITY OF SURREY   (United Kingdom)

^c MICHIGAN STATE UNIVERSITY   (United States)

^d MICHIGAN STATE UNIVERSITY   (United States)

^e Alfred University   (United States)

Author keywords

43Ca NMR; ACC; amorphous calcium carbonate; biomineralization; molecular dynamics

Indexed keywords

ACC; AMORPHOUS CALCIUM CARBONATE; ATOMIC POSITIONS; BOND DISTANCE; FORCE FIELDS; GAUSSIAN LINE; ION PAIRS; ISOTROPIC CHEMICAL SHIFTS; LOCAL STRUCTURE; MD SIMULATION; METASTABLE PRECURSORS; MOLECULAR DYNAMICS SIMULATIONS; NMR PEAKS; NMR SPECTRUM; PRE-NUCLEATION; REVERSE MONTE CARLO MODELING; SIMULATION TIME; SOLID-STATE NMR SPECTROSCOPY; STRUCTURAL DISORDERS; STRUCTURAL MODELS; STRUCTURAL REORGANIZATION; UPPER-END;

BIOMINERALIZATION; CALCIUM CARBONATE; COMPUTATIONAL CHEMISTRY; COMPUTER SIMULATION; CRYSTALLINE MATERIALS; METASTABLE PHASES; MODEL STRUCTURES; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; SEAWATER; X RAY ABSORPTION SPECTROSCOPY;

CALCIUM;

EID: 84861358300     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm300389q     Document Type: Article

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