Keyphrases
Calculation Method
100%
Solution Phase
100%
Density Functional Method
100%
Alkyl
100%
Radical Anions
100%
Spin Density
100%
B3PW91
100%
Electron-nuclear Double Resonance (ENDOR)
100%
9,10-anthraquinone
100%
Density Calculation
100%
Hyperfine Coupling Constant
100%
Isotropic Hyperfine Coupling
100%
Methyl
50%
Computational Methods
50%
EPR Spectra
50%
Anthraquinone-2
50%
CI Method
50%
INIS
solutions
100%
comparative evaluations
100%
density
100%
calculation methods
100%
spectra
100%
anions
100%
spin
100%
anthraquinones
100%
density functional method
100%
coupling constants
100%
endor
100%
values
50%
simulation
50%
data
50%
Chemistry
Calculation Method
100%
EPR Spectroscopy
100%
Radical Anion
100%
ESR-hyperfine Coupling Constant
100%
9,10-anthraquinone
100%
Electron-Nuclear Double Resonance Spectroscopy
100%
Density Functional Theory
100%