Keyphrases
Metal-organic Frameworks (MOFs)
100%
Modeling Approach
100%
Metal Catalyst
100%
Butane
100%
N-Butane Oxidation
100%
Steric Constraint
100%
Regioselectivity
40%
Oxygen Coverage
40%
1-Butanol
40%
Computationally Efficient
20%
Metal Nanoparticles
20%
Composite Materials
20%
Metal Surface
20%
Reaction Energy
20%
Porous Metal-organic Frameworks
20%
Crystal Surface
20%
Novel Composite
20%
Reactant Adsorption
20%
DFT Approach
20%
Pd(111) Surface
20%
Palladium Surface
20%
2-Butanol
20%
Coverage Constraints
20%
Intermediate Reactions
20%
Thermodynamic Favorability
20%
Engineering
Reactant
100%
Reaction Model
100%
Porous Metal
100%
Energy Engineering
100%
Crystal Surface
100%
Discrete Fourier Transform
100%
Metal Nanoparticle
100%
Composite Material
100%
Chemistry
Metal Organic Framework
100%
Metal Catalyst
100%
Butene
60%
Density Functional Theory
20%
Porosity
20%
Regioselectivity
20%
Palladium
20%
Metal Nanoparticle
20%
Regioselective Catalyst
20%
Reaction Intermediate
20%
Composite Material
20%
Chemical Engineering
Metal-Organic Frameworks
100%
Butene
60%
Metal Nanoparticle
20%