Chemical Compounds
Perturbation Theory
72%
Wave Function
47%
Energy
34%
Orbital
34%
Excited State
32%
Electronic Excitation
30%
CASSCF Calculation
24%
Density Functional Theory
19%
Unrestricted Hartree-Fock Calculation
18%
Dissociation Enthalpy
16%
Energy State
16%
Electronic State
16%
Zero Field Splitting
15%
Hamiltonian
14%
Hartree-Fock Calculation
14%
Diels-Alder Reaction
12%
Ground State
11%
Electron Spin
10%
Transition State
10%
Electron Correlation Energy
8%
Coupled Cluster Theory
7%
Electron Correlation
7%
Point Group C2v
7%
Mixed Valence
6%
Electron Density
6%
Magnetic Phenomena
5%
Photochemical Reaction
5%
Field Theory
5%
Density Matrix
5%
Magnetic Circular Dichroism
5%
Formaldehyde
5%
Computational Chemistry
5%
Physics & Astronomy
density functional theory
100%
perturbation theory
32%
self consistent fields
25%
excitation
24%
Diels-Alder reactions
22%
orbitals
19%
energy
19%
electronics
18%
alkaline earth metals
17%
wave functions
17%
gradients
16%
functionals
13%
intersections
13%
dissociation
12%
enthalpy
12%
dimers
11%
potential energy
11%
geometry
9%
configurations
9%
platforms
7%
magnets
6%
approximation
6%
molecules
6%
molecular properties
5%
configuration interaction
5%
phenols
5%
formaldehyde
5%
computational chemistry
5%
Engineering & Materials Science
Density functional theory
99%
Wave functions
40%
Excitation energy
28%
Alkaline earth metals
20%
Dimers
19%
Potential energy surfaces
14%
Circular Dichroism
11%
Molecules
10%
Computational chemistry
9%
Hamiltonians
9%
Magnets
8%
Excited states
8%
Molecular dynamics
7%
Earth (planet)
7%
Electronic structure
6%
X rays
5%
Paramagnetic resonance
5%
Magnetic properties
5%
Software engineering
5%
