A reactivity index study to rationalize the effect of dopants on Brönsted and Lewis acidity occurring in MeAlPOs

Journal of Molecular Graphics and Modelling

Volumn 24, Issue 4, 2006, Pages 262-270

  Chatterjee, Abhijit ^a  

^a Nishishinbashi TS Bldg ^*  (Japan)

Author keywords

Br nsted acidity; DFT; Dopants; Lewis acidity; MeAlPOs; Reactivity index

Indexed keywords

DOPING (ADDITIVES); POSITIVE IONS; REACTION KINETICS; SUBSTITUTION REACTIONS;

INTERMOLECULAR INTERACTIONS; LEWIS ACIDITY; METAL CATIONS; METAL SUBSTITUENTS;

ACIDITY;

ACID; ALUMINUM PHOSPHATE; BASE; CHROMIUM; COBALT; DIVALENT CATION; IRON; LEWIS ACID; MAGNESIUM; MANGANESE; METAL; METAL ION; OXYGEN;

ACCURACY; ACIDITY; ARTICLE; CALCULATION; CLUSTER ANALYSIS; DENSITY FUNCTIONAL THEORY; ENVIRONMENTAL FACTOR; MOLECULAR INTERACTION; MONITORING; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS;

ACIDS; ALUMINUM COMPOUNDS; HYDROGEN-ION CONCENTRATION; METALS; MOLECULAR CONFORMATION; PHOSPHATES;

EID: 28944445443     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.09.003     Document Type: Article

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