Chemistry
Wave Function
100%
Configuration Interaction
98%
Hartree-Fock Calculation
67%
Excited State
60%
Ground State
56%
Electron Correlation
54%
Structure
54%
Electronic State
51%
Density Functional Theory
46%
Magnetic Interaction
42%
Relaxation
36%
Exciton
36%
CASSCF Calculation
30%
Molecular Orbital
29%
Spin Transition
28%
First Principle
28%
Charge Distribution
28%
Triplet State
28%
Dielectric Constant
27%
Heparin
26%
Cluster Model
26%
Antiferromagnetic
24%
Molecular Structure
23%
Transition Element
21%
Spin State
21%
Singlet State
21%
Quantum Chemical Calculations
20%
Anisotropy
20%
Binding Energy
19%
Nuclear Quadrupole Coupling Constant
19%
Intersystem Crossing [Singlet->triplet]
19%
Electric Field
19%
Molecular Dynamics
18%
Potential Energy Surface
17%
Diamagnetic
17%
Magnetic Property
17%
Organic Radical
16%
Diamagnetic Susceptibility
16%
Counterion
16%
Electric Field Gradient
16%
Hydrogen Bonding
16%
Electron Transport
15%
Chemisorption
14%
L-Methionine
14%
Dimerization
14%
Bond Angle
14%
Aluminum
14%
Imidazole
14%
Metal Ion
14%
Quadrupole
14%
Keyphrases
Nonorthogonal Configuration Interaction
23%
Properties Calculation
21%
Charge Transfer Excitation
17%
Wave Function
15%
Electron Properties
14%
Dielectric Constant
14%
Singlet Fission
12%
Exciton Binding Energy
11%
Quantum Chemistry
10%
Complete Active Space Self-consistent Field (CASSCF)
10%
Molecular Orbital Calculations
10%
Fullerene Derivatives
9%
Side Chain
9%
Charge Transfer
9%
Nuclear Quadrupole Coupling Constant
9%
Electronic Coupling
9%
Second Moment
8%
Low-lying Excited States
8%
Dynamic Electron Correlation
8%
Organic Photovoltaics
8%
Diamagnetic Susceptibility
7%
Ab Initio Calculations
7%
Cluster Calculations
7%
Spin Transition
7%
Water Coordination
7%
Overlapping Fragments
7%
Light-induced Spin Crossover
7%
Electronic Transitions
7%
Pressure-induced
7%
LiCu2O2
7%
Isotropic Interactions
7%
Heparin Oligosaccharides
7%
Symmetry Breaking
7%
Hole Localization
7%
Sulfur-based
7%
Ab Initio Methods
7%
Orbital Relaxation
7%
Orbital Localization
7%
Planar Geometry
7%
Cuprates
7%
Low-lying Electronic States
7%
Copper Chloride
7%
D-d Transition
7%
Copper(I) Bromide
7%
NS-2
7%
CaFeO3
7%
Mössbauer Isomer Shift
7%
Ionicity
7%
Magic-size Clusters
7%
Polaron Formation
7%