Keyphrases
Monte Carlo Simulation
100%
First-principles
100%
Ethylene
100%
Hydrogenation Kinetics
100%
Principles-based
100%
Ethylene Hydrogenation
100%
Kinetic Order
75%
Size Effect
25%
Ethyl
25%
Monte Carlo Algorithm
25%
Interaction Model
25%
Density Functional
25%
Well-defined
25%
Activation Energy
25%
Quantum Chemical Calculations
25%
Partial Pressure
25%
Ensemble Size
25%
Apparent Activation Energy
25%
Adlayer
25%
Bond Order
25%
Adsorption Sites
25%
Adsorbate-adsorbate Interactions
25%
(100) Surfaces
25%
Catalytic Kinetics
25%
Intrinsic Kinetics
25%
Pd(100)
25%
Hydrogen Kinetics
25%
Kinetic Monte Carlo Algorithm
25%
Site Effects
25%
Conservation Methods
25%
Site Competition
25%
Coverage-dependent
25%
Kinetic Database
25%
Material Science
Hydrogenation
100%
Kinetic Order
75%
Activation Energy
50%
Density
25%
Adsorbate
25%
Chemical Engineering
Hydrogenation
100%
Ethylene
100%
Adsorption
12%