Engineering & Materials Science
Density functional theory
100%
Hydrogenation
61%
Chemical activation
58%
Adsorption
52%
Catalysts
48%
Atoms
48%
Acids
44%
Molecules
39%
Oxidation
39%
Oxygen
36%
Ethylene
32%
Metals
31%
Catalysis
27%
Protons
23%
Water
23%
Dehydrogenation
23%
Hydrogen
23%
Palladium
22%
Chemisorption
20%
Polyoxometalates
20%
Methanol
18%
Electrons
17%
Activation energy
16%
Adsorbates
15%
Catalyst activity
15%
Gold
15%
Binding energy
14%
Hydrocarbons
13%
Pyrolysis
13%
Ions
12%
Molecular structure
12%
Deprotonation
12%
Gold nanoparticles
12%
Monomers
12%
Butenes
12%
Hydrides
12%
Discrete Fourier transforms
11%
Oxides
11%
Propionic acid
11%
Infrared radiation
10%
Alcohols
10%
Hydrogenolysis
10%
Olefins
10%
Dehydration
10%
Acetic acid
10%
Electrodes
10%
Transition metals
10%
Infrared spectroscopy
10%
Decomposition
10%
Ethers
9%
Chemical Compounds
Density Functional Theory
46%
Surface
43%
Hydrogenation
35%
Simulation
22%
Adsorption
22%
Monte Carlo Method
21%
Vinyl Acetate
21%
Catalyst
19%
Molecular Cluster
19%
Oxidation Reaction
19%
Dioxygen
18%
Metal
16%
Energy
16%
Alloy
16%
Molecule
15%
Transition State
15%
Hydrogen
15%
Adsorption Energy
15%
Catalysis
13%
Acid
13%
Chemisorption
13%
Reaction Activation Energy
12%
Dissociation
11%
Methanol
11%
Acetate
10%
Palladium
10%
Hydrocarbon
10%
Dehydrogenation
10%
Binding Energy
9%
Statistical Ensemble
9%
Desorption
9%
Reaction Path
9%
Reduction
9%
Proton
9%
Dehydration
9%
Pyrolysis
9%
Decomposition
8%
Strength
8%
Nanoparticle
8%
Methane
7%
Oxide
7%
Environment
7%
Chemical Transformation
7%
Bond Order
7%
Acetic Acid
7%
Nitric Oxide
7%
Electrocatalysis
6%
Solvent
6%
Hydrogenolysis
6%
Propionic Acid
6%
Physics & Astronomy
hydrogenation
32%
adsorption
26%
density functional theory
24%
activation
18%
ethylene
16%
acids
15%
catalysts
14%
atoms
13%
hydrogen
13%
kinetics
13%
infrared spectra
13%
oxygen
11%
molecules
11%
chemisorption
10%
metals
10%
solidified gases
9%
methyl alcohol
9%
acetates
9%
dehydrogenation
9%
simulation
8%
water
8%
energy
8%
acetic acid
7%
decomposition
7%
oxidation
7%
palladium
7%
acetylene
6%
nitric oxide
6%
protons
6%
reaction products
6%
dissociation
6%
desorption
6%
benzene
6%
hydrocarbons
6%
interactions
5%
selectivity
5%
butenes
5%
reactivity
5%
lasers
5%
pyridines
5%
products
5%
binding energy
5%
synthesis
5%
dehydration
5%