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