ONIOM study of Ga/SAPO-11 catalyst: Species formation and reactivity

Journal of Molecular Catalysis A: Chemical

Volumn 271, Issue 1-2, 2007, Pages 185-191

  Sierraalta, Anibal ^a   Añez, Rafael ^a   Ehrmann, Elena ^b  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b UNIVERSIDAD SIMÓN BOLÍVAR   (Venezuela)

Author keywords

B3LYP; DeSOx; DFT; Gallium catalysts; GaO; ONIOM; SAPO 11; Theoretical calculations

Indexed keywords

ADSORPTION; EXOTHERMIC REACTIONS; GALLIUM; GIBBS FREE ENERGY; MOLECULAR INTERACTIONS; SYNTHESIS (CHEMICAL);

PEARSON'S RULE; POTENTIAL ABILITY; THEORETICAL CALCULATIONS;

CATALYST ACTIVITY;

EID: 34248162809     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2007.03.002     Document Type: Article

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