Kinetic models for catalytic reactions from first principles: Benzene hydrogenation

Medicine & Life Sciences

• Hydrogenation 100%
• Benzene 75%
• Kinetics 43%
• Hydrogen 34%
• Adsorption 32%
• Density Functional Theory 26%
• Toluene 19%
• Thermodynamics 18%
• Catalytic Domain 13%

Physics & Astronomy

• hydrogenation 66%
• benzene 59%
• kinetics 35%
• catalysts 27%
• hollow 27%
• enthalpy 26%
• adsorption 23%
• hydrogen 18%
• toluene 16%
• density functional theory 11%
• activation energy 11%
• thermodynamics 10%

Chemical Compounds

• Hydrogenation 44%
• Benzene 42%
• Catalysis 38%
• Reaction Path 32%
• Adsorption Enthalpy 21%
• Enthalpy of Adsorption 20%
• Hydrogen 15%
• Rate-Determining Step 14%
• Kinetics Type 13%
• Catalyst 12%
• Toluene 11%
• Reaction Activation Energy 10%
• Density Functional Theory 9%
• Thermodynamics 9%
• Surface 4%