Kinetic models for catalytic reactions from first principles: Benzene hydrogenation

Molecular Physics

Volumn 102, Issue 3 PART II, 2004, Pages 267-272

  Saeys, Mark ^a,c   Thybaut, Joris W ^a   Neurock, Matthew ^b   Marin, Guy B ^a  

^a GHENT UNIVERSITY   (Belgium)

^b University of Virginia   (United States)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADSORPTION; ATOMIC SPECTROSCOPY; CATALYSIS; CATALYST ACTIVITY; COMPUTATIONAL METHODS; ENTHALPY; HAMILTONIANS; HYDROGENATION; MATHEMATICAL MODELS; PLATINUM; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; TRANSITION METALS; ZEOLITES;

DENSITY FUNCTIONL THEORY; HORIUTI POLANYI MECHANISM; KINETIC MODELS; REACTION PATH ANALYSIS;

BENZENE;

EID: 3042803524     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001668516     Document Type: Article

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