A theoretical study of the structure of tricarbonatodioxouranate

Keyphrases

• Second-order Perturbation Theory 100%
• CASPT2 100%
• Complete Active Space Self-consistent Field (CASSCF) 100%
• Multiconfigurational 50%
• Aqueous Environment 50%
• Reaction Field 50%
• Uranyl 50%
• Equilibrium Geometry 50%
• One-electron Reduction 50%
• Spherical Cavity 50%
• Uranium 50%
• Formal Oxidation State 50%

Chemistry

• Uranium Dioxide 100%
• k·p perturbation theory 50%
• CASSCF Calculation 50%
• Point Group D3h 50%
• Ground State 25%
• Uranium 25%