Keyphrases
Closed Shell
100%
Spin Density
100%
Low-lying Excited States
100%
B3LYP
100%
Electronic Transitions
100%
Absorption Spectra
100%
Scalar
100%
Spin-orbit Coupling
100%
Density Functional
100%
Dirac
100%
Spin-orbit Effects
100%
Molecular Properties
100%
Electronic Structure Properties
100%
Open-shell Complexes
100%
Magnetic Anisotropy
100%
Molecular Electronegativity
100%
Polarizable Continuum Model
100%
Scattered Wave
100%
Ground State Spin
100%
G-tensor
100%
Wave Calculation
100%
Time-dependent Density
100%
Chemistry
Excited State
100%
DFT-B3LYP Calculation
100%
Electronic State
100%
Ground State
100%
Electronic Transition
100%
Absorption Spectrum
100%
Molecular Property
100%
Electronegativity
100%
Spin State
100%
Magnetic Anisotropy
100%