Chemistry
Absorption Spectrum
16%
Actinoid Atom
12%
Angular Momentum
9%
CASSCF Calculation
8%
Chemical Shift
10%
Chemistry
10%
Cluster Ion
14%
Density Functional Theory
100%
DFT-B3LYP Calculation
12%
Donor
21%
Dye-Sensitized Solar Cell
21%
Electron Donor
8%
Electronegativity
8%
Electronic Property
20%
Electronic State
84%
Electronic Transition
24%
Energetics
9%
EPR Spectroscopy
15%
Excited State
20%
Frontier Orbital
10%
Ground State
37%
Halide
10%
Hydrogen Bonding
8%
Hyperfine Interaction
19%
Hyperfine Structure
7%
Indacene
15%
Lanthanoid Atom
23%
Lowest Unoccupied Molecular Orbital
16%
Luminiscence Type
32%
Magnetic Property
25%
Metallocene
11%
Molecular Orbital
45%
Molecular Property
25%
Molecular Structure
13%
Optical Property
56%
Phthalocyanine
14%
Point Group
10%
Red
8%
Rhenium
25%
Ruthenium
11%
Silver
11%
Solar Cell
9%
Solvent Effect
10%
Spin-Orbit Coupling
19%
Structure
24%
Time-Dependent Density Functional Theory
23%
Titanium Dioxide
15%
Transition State
11%
UV/VIS Spectroscopy
13%
Wave Function
11%
Keyphrases
Absorption Spectra
12%
Ancillary Ligand
12%
Aromaticity
20%
B3LYP
10%
Bonding Nature
10%
Cluster Ions
13%
Density Functional
10%
Density Functional Calculations
20%
Density Functional Theory
20%
DFT Calculations
11%
DFT Study
16%
Dirac
46%
Dye-sensitized Solar Cells
22%
Electronic Properties
23%
Electronic Structure
48%
Electronic Structure Properties
20%
Electronic Transitions
22%
Excitation Energy
19%
G-tensor
12%
Hyperfine Interactions
15%
Hyperfine Tensor
13%
Lanthanides
18%
Magnetic Properties
22%
Molecular Orbital
19%
Molecular Orbital Calculations
15%
Molecular Properties
24%
Molecular Structure
12%
Optical Properties
55%
Paramagnetic Resonance
11%
Phthalocyanine
13%
Pyridine
11%
Relativistic DFT
10%
Relativistic DFT Calculations
16%
Relativistic Effects
35%
Rhenium
13%
Rhenium Complexes
12%
Rutile
24%
S-Indacene
15%
Scalar
25%
Scattered Wave
22%
Sensitizer
10%
Solar Cell
10%
Solvent Effect
10%
Spin-orbit
19%
Spin-orbit Coupling
35%
Spin-orbit Effects
32%
TD-DFT Calculations
13%
Time-dependent Density Functional Theory
24%
Two-component
11%
Wave Calculation
10%
