What is the structure of kaolinite? Reconciling theory and experiment

Journal of Physical Chemistry B

Volumn 113, Issue 19, 2009, Pages 6756-6765

  White, Claire E ^a   Provis, John L ^a   Riley, Daniel P ^a   Kearley, Gordon J ^b   Van Deventer, Jannie S J ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINOSILICATES; KAOLINITE; MINING; MOLECULAR SPECTROSCOPY;

ALUMINOSILICATE MINERALS; BOND ANGLE; COMPUTATIONAL REQUIREMENTS; COMPUTATIONAL STRUCTURE; DENSITY FUNCTIONAL MODELING; DIFFRACTOGRAMS; EXACT GEOMETRY; EXCHANGE-CORRELATION FUNCTIONALS; HYDROXYL GROUPS; INNER-SURFACE HYDROXYLS; LARGE-SCALE CALCULATION; SPACE GROUPS; STRUCTURAL INFORMATION; STRUCTURE PREDICTION; TOTAL ENERGY CALCULATION;

DENSITY FUNCTIONAL THEORY;

EID: 67650076394     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810448t     Document Type: Article

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