Application of localized reactivity index in combination with periodic DFT calculation to rationalize the swelling mechanism of clay type inorganic material

Journal of Chemical Sciences

Volumn 117, Issue 5, 2005, Pages 533-539

  Chatterjee, Abhijit ^a  

^a Accelrys K K   (Japan)

Author keywords

Inorganic clays; Interlayer cations; Localized reactivity index; Periodic DFT calculations; Swelling mechanism

Indexed keywords

HYDRATION; MOLECULAR DYNAMICS; POSITIVE IONS; SILICATES; SOLUTIONS; SWELLING; SYNTHESIS (CHEMICAL);

INORGANIC CLAYS; INTERLAYER CATIONS; LOCALIZED REACTIVITY INDEX; PERIODIC DFT CALCULATION; SWELLING MECHANISM;

CLAY;

EID: 27844471530     PISSN: 02534134     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02708359     Document Type: Article

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