Keyphrases
Electronic Transitions
100%
Uranyl Complexes
100%
Coordination Effect
100%
Uranyl
100%
Bonding Effect
100%
Solvent Effect
50%
Time-dependent Density Functional Theory
50%
Relativistic Density Functional Theory
50%
Acetonitrile
50%
Spin-orbit Coupling
50%
MPW1PW91
50%
Chloride
50%
Relativistic Effects
50%
Conductor-like Screening Model for Real Solvents (COSMO-RS)
50%
Geometry Optimization
50%
Raman Spectra
50%
Irreducible Representation
50%
Frequency Analysis
50%
Excitation Energy
50%
Cyanide
50%
Coordination Chemistry
50%
Fluoride
50%
Counterion
50%
Dication
50%
Carbonate
50%
Donor Ligands
50%
IR Spectra
50%
Isocyanide
50%
Acceptor Ligand
50%
Double Groups
50%
PBE Functional
50%
EXAFS Spectra
50%
Uranyl Ion
50%
Experimental IR
50%
UO22+
50%
Chemistry
Electronic Transition
100%
Density Functional Theory
50%
Solvent Effect
50%
Donor
50%
Time-Dependent Density Functional Theory
50%
Acetonitrile
50%
Spin-Orbit Coupling
50%
Coordination Chemistry
50%
Raman Spectrum
50%
Counterion
50%
Isocyanide
50%
IR Spectrum
50%
Extended X Ray Absorption Fine Structure Spectrum
50%