Keyphrases
Metal Oxide
100%
Selective Oxidation
100%
Density Functional
100%
Mean Absolute Deviation
100%
Meta-GGA Functional
100%
B3LYP
66%
Hybrid Functional
66%
TPSSh
66%
GGA Functionals
66%
Single Center
33%
Density Functional Theory
33%
Desorption Process
33%
Adsorption Process
33%
Epoxidation
33%
Redox Reaction
33%
Reaction Energy
33%
CCSD(T)
33%
Dispersion Interaction
33%
Organic Adsorbates
33%
Absolute Energy
33%
Oxidative Dehydrogenation
33%
Hydrogenation Process
33%
T Level
33%
M06L
33%
Empirical Correction
33%
Metal-oxo
33%
Double-hybrid Functionals
33%
Chemistry
Oxidation Reaction
100%
Metal Oxide
100%
Energetics
100%
Selective Oxidation
100%
DFT-B3LYP Calculation
66%
Density Functional Theory
33%
Hydrogenation
33%
Sorption
33%
CCSD
33%
Redox Reactions
33%
Oxidative Dehydrogenation
33%
Oxo Group
33%
epoxidation
33%
Material Science
Density
100%
Metal Oxide
100%
Selective Oxidation
100%
Desorption
33%
Hydrogenation
33%
Adsorbate
33%
Redox Process
33%
Oxidative Dehydrogenation
33%
Epoxidation
33%
Surface (Surface Science)
33%
Chemical Engineering
Hydrogenation
100%
Dehydrogenation
100%
Sorption
100%