Molecular modeling of layered double hydroxide intercalated with benzoate, modeling and experiment

Journal of Molecular Modeling

Volumn 13, Issue 8, 2007, Pages 937-942

  Kovář, Petr ^a   Pospisil M ^a   Nocchetti, M ^b   Capkova P ^a,d   Melánová, Klára ^c  

^a CHARLES UNIVERSITY   (Czech Republic)

^b UNIVERSITY OF PERUGIA   (Italy)

^c UNIVERSITY OF PARDUBICE   (Czech Republic)

^d VSB TECHNICAL UNIVERSITY OF OSTRAVA   (Czech Republic)

Author keywords

Benzoate; Layered double hydroxide; Molecular modeling; X ray diffraction

Indexed keywords

BENZOIC ACID; HYDROXIDE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; INFRARED SPECTROSCOPY; MOLECULAR MODEL; MOLECULE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; THERMOGRAVIMETRY; WATER CONTENT; X RAY DIFFRACTION;

ALUMINUM; ALUMINUM HYDROXIDE; ANIONS; BENZENE; BENZOIC ACID; BINDING SITES; CARBOXYLIC ACIDS; CRYSTALLIZATION; HYDROXIDES; MAGNESIUM HYDROXIDE; MODELS, MOLECULAR; SPECTROPHOTOMETRY, INFRARED; X-RAY DIFFRACTION; ZINC;

EID: 34447105585     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0217-4     Document Type: Article

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