Engineering & Materials Science
Density functional theory
80%
Wave functions
51%
Catalysts
31%
Oxidation
29%
Plasmons
27%
Ligands
24%
Oxidation-Reduction
23%
Methanol
23%
Azobenzene
21%
Dehydrogenation
20%
Pyridine
20%
Plasmonics
19%
Hydrogen
18%
Cobalt
18%
Time varying systems
17%
Hydrogen evolution reaction
16%
Discrete Fourier transforms
15%
Metal-Organic Frameworks
14%
Electrocatalysts
13%
Ferromagnetism
13%
Metalorganic frameworks
13%
Excited states
13%
Charge transfer
12%
Oxygen
12%
Oxygen reduction reaction
12%
Defects
11%
Mathematical operators
10%
Surface plasmons
10%
Chemical reactions
10%
Catalysis
10%
Electronic structure
9%
Positive ions
9%
Transition metals
9%
Cycloaddition
9%
Surface defects
9%
Electrons
9%
Molar ratio
9%
Magnetization
9%
Electrodes
9%
Alloying
9%
Protonation
8%
Adsorption
8%
Dimers
8%
Proteins
8%
Regioselectivity
8%
DNA
8%
Spintronics
8%
Principal component analysis
7%
Hydrides
7%
Adsorbates
7%
Chemical Compounds
Density Functional Theory
59%
Wave Function
49%
Energy
24%
Diazene
23%
Periodic System
23%
Kinetic Energy
21%
Hydrogen
16%
Error
15%
Electrochemical Reduction
15%
Environment
15%
Orbital
14%
Pyrrole
14%
Metal Organic Framework
14%
Azobenzene
13%
Alder-Ene Reaction
13%
Catalyst
13%
Transition Element
12%
Molecular Cluster
12%
N-Methylpyridinium
12%
Reduction
11%
Oxidation Reaction
11%
Dissociation
11%
Magnetic Phenomena
11%
Wave
10%
Electronic State
10%
Sesquiterpene Lactone
10%
Spintronics
10%
Chemistry
10%
Magnetic Ordering
10%
Charge Transfer
10%
Ferromagnetism
9%
Dehydrogenation
9%
Cyclopentane
9%
Methanol
9%
Salicylate
9%
Surface Defect
9%
Partition
9%
Sesquiterpene
8%
Isocyanide
8%
Carbodiimide
8%
Catalysis
8%
Benzyl Viologen
8%
Michael Addition
8%
Stereoisomer
8%
Dioxygen
7%
Addition Reaction
7%
Ionization Potential
7%
Trimer
7%
Cycloaddition
7%
Physics & Astronomy
embedding
100%
density functional theory
70%
projection
37%
wave functions
36%
plasmons
12%
energy
11%
operators
11%
oxidation
11%
orbitals
11%
dehydrogenation
10%
affinity
10%
initiators
9%
transition metals
9%
chemical reactions
9%
approximation
9%
gadolinium
8%
complex systems
8%
cleavage
8%
shift
8%
configuration interaction
8%
methyl alcohol
7%
kinetic energy
7%
kinetics
7%
hydrogen
7%
selectivity
7%
partitions
7%
anions
7%
cobalt
7%
functionals
6%
chelates
6%
iron
6%
adsorption
5%
boundary conditions
5%
catalysis
5%
excitation
5%
molecular clusters
5%