Active sites for the vapor phase beckmann rearrangement over mordenite: An ab initio study

Journal of Physical Chemistry A

Volumn 108, Issue 51, 2004, Pages 11388-11397

  Bucko, T ^a   Hafner, J ^a   Benco, L ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; CATALYSTS; DESORPTION; HYDROGEN BONDS; IONS; KETONES;

ACTIVE SITES; BECKMANN REARRANGEMENT (BR); GENERALIZED GRADIENT APPROXIMATION (GGA); PROJECTOR-AUGMENTED-WAVE (PAW);

REACTION KINETICS;

EID: 11444266638     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0471103     Document Type: Article

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