Kinetic-quantum chemical model for catalytic cycles: The Haber-Bosch process and the effect of reagent concentration

Journal of Physical Chemistry A

Volumn 112, Issue 26, 2008, Pages 6032-6041

  Kozuch, Sebastian ^a   Shaik, Sason ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CONCENTRATION (PROCESS); QUANTUM CHEMISTRY; RATE CONSTANTS; REACTIVE ION ETCHING;

AMMONIA SYNTHESIS; APPARENT ACTIVATION ENERGY; CATALYTIC CYCLING; ENERGY LEVELS; HABER-BOSCH PROCESS; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL MODELLING; RATE-DETERMINING STEPS; REAGENT CONCENTRATION; STATE ENERGIES; TRANSITION STATE; TURN-OVER FREQUENCY;

ACTIVATION ENERGY;

EID: 53349090161     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8004772     Document Type: Article

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