Kinetic interpretation of catalytic activity patterns based on theoretical chemical descriptors

Journal of Catalysis

Volumn 216, Issue 1-2, 2003, Pages 63-72

  Toulhoat, Hervé ^a   Raybaud, Pascal ^a  

^a IFP ENERGIES NOUVELLES   (France)

Author keywords

Bond energies; Compensation effect; Descriptors; DFT; Hydrodesulfurization; Hydrogenation; Hydrogenolysis; Kinetic models; Periodic trends in catalysis

Indexed keywords

ALLOY; BENZENE; CARBON; CHROMIUM; COBALT; COPPER; ETHYLENE; HYDROGEN; IRON; LANTHANUM; MANGANESE; METAL; NICKEL; OXYGEN; PALLADIUM; PENTANE; PLATINUM; RHODIUM; RUTHENIUM; SCANDIUM; SILVER; SODIUM CHLORIDE; SULFIDE; SULFUR; TECHNETIUM; TITANIUM; TUNGSTEN; VANADIUM; YTTERBIUM; ZIRCONIUM;

ADSORPTION; ATOMIC PARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL PARAMETERS; CHEMICAL REACTION; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; CONFERENCE PAPER; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DISSOCIATION; ENERGY; ENTHALPY; HEAT; HYDROGENATION; LYSIS; MODEL; MOLECULE; OXIDATION; PREDICTION; THEORY;

EID: 0038006762     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0021-9517(02)00118-5     Document Type: Conference Paper

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