Engineering & Materials Science
Metal-Organic Frameworks
100%
Density functional theory
78%
Ligands
33%
Transition metals
27%
Catalysts
25%
Molecules
25%
Electronic structure
25%
Metals
25%
Wave functions
24%
Metalorganic frameworks
23%
Atoms
23%
Ground state
19%
Dimerization
18%
Dimers
15%
Oxidation
14%
Electrons
14%
Iron
13%
Positive ions
13%
Catalysis
12%
Charge transfer
12%
Ethylene
11%
Actinides
11%
Catalyst activity
11%
Adsorption
11%
Atomic layer deposition
10%
Catalyst supports
10%
Uranium
10%
Chemical activation
9%
Excited states
9%
Oxides
9%
Nickel
9%
Discrete Fourier transforms
9%
Cobalt
9%
Hydrogenation
9%
Ions
8%
Excitation energy
8%
X ray absorption spectroscopy
8%
Rare earth elements
8%
Water
7%
Spectroscopy
7%
Oxygen
7%
Molecular dynamics
7%
Californium
7%
Methanol
7%
Catalyst selectivity
7%
Electronic properties
7%
Oligomerization
6%
Oxidation-Reduction
6%
Methane
5%
Computational chemistry
5%
Chemical Compounds
Metal Organic Framework
59%
Perturbation Theory
51%
Wave Function
43%
Density Functional Theory
41%
Electronic State
39%
Energy
30%
Ground State
30%
Orbital
29%
Ligand
19%
Actinoid Atom
19%
Molecule
19%
CASSCF Calculation
19%
Transition Element
18%
Excited State
15%
Molecular Cluster
15%
Catalyst
15%
Chemical Method
15%
Bond Order
15%
Metal
14%
Oxidation Reaction
12%
Hartree-Fock Calculation
11%
Spin State
11%
Density Matrix
10%
Potential Energy
10%
Quantum Chemistry
10%
Chemistry
10%
Dimerization
10%
Spin-Orbit Coupling
9%
Dissociation
8%
Ion
8%
Lanthanoid Atom
8%
Peroxide
8%
Electron Particle
8%
Electron Spin
8%
Hamiltonian
8%
Charge Transfer
8%
Bond Length
8%
Electron Correlation Energy
7%
Force
7%
Methane
7%
Error
7%
Gas
7%
Simulation
7%
Atomic Layer Epitaxy
7%
Diatomic Molecule
7%
Cation
7%
Hydrogenation
6%
Potential Energy Surface
6%
X Ray Absorption Spectroscopy
6%
Diuranium
6%
Physics & Astronomy
density functional theory
51%
perturbation theory
25%
metals
23%
self consistent fields
22%
molecules
21%
electronic structure
19%
uranium
18%
ligands
17%
wave functions
17%
ground state
16%
energy
15%
transition metals
15%
orbitals
14%
excitation
12%
peroxides
12%
electronics
12%
dissociation
11%
catalysts
11%
functionals
10%
atoms
10%
oxidation
9%
electrons
9%
cations
9%
configuration interaction
8%
iron
8%
quantum chemistry
8%
electronic spectra
7%
potential energy
7%
field theory (physics)
7%
vapor phases
7%
dimerization
7%
interactions
6%
isomers
6%
approximation
6%
geometry
6%
charge transfer
6%
ethylene
6%
infrared spectra
6%
chemistry
5%
reactivity
5%
ions
5%
cobalt
5%
dimers
5%
solidified gases
5%
gradients
5%
isomerization
5%
activation
5%
relativistic effects
5%
costs
5%