Investigating relationships between the crystal structure and 31P isotropic chemical shifts in calcined aluminophosphates

Journal of Physical Chemistry C

Volumn 118, Issue 40, 2014, Pages 23285-23296

  Dawson, Daniel M ^a   Ashbrook, Sharon E ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; CALCINATION; CHEMICAL SHIFT; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

ALUMINOPHOSPHATES; COMPUTATIONAL TIME; ISOTROPIC CHEMICAL SHIFTS; ISOTROPIC SHIELDING; OVER-PARAMETERISATION; PREDICTIVE ABILITIES; STRUCTURE SPECTRA; VERY LARGE SYSTEMS;

CRYSTAL STRUCTURE;

EID: 84907992815     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp507644z     Document Type: Article

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