KID Procedure Applied on the [(PY₅Me₂)MoO]⁺Complex

Keyphrases

• Molecular Orbital Energy 100%
• Koopman 100%
• Lowest Unoccupied Molecular Orbital 50%
• Density Functional 37%
• Koopman Theory 37%
• Highest Occupied Molecular Orbital 37%
• Density Functional Theory 25%
• CAM-B3LYP 25%
• M06-2X 25%
• MN15 25%
• Closed Shell 12%
• Conceptual Density Functional Theory 12%
• Local Reactivity Descriptors 12%
• Organic Molecules 12%
• B3LYP 12%
• BP86 12%
• Global Reactivity Descriptors 12%
• Open-shell 12%
• Quantum Chemical Calculations 12%
• Electron Affinity 12%
• PBE0 12%
• SL(2) 12%
• Shell Type 12%
• MN12-SX 12%
• First Ionization Potential 12%
• Jacob's Ladder 12%
• Absolute Deviation 12%
• Hartree-Fock Theory 12%
• Singly Occupied Molecular Orbital 12%
• Mn12 12%

Chemistry

• Density Functional Theory 100%
• Lowest Unoccupied Molecular Orbital 80%
• DFT-B3LYP Calculation 60%
• Highest Occupied Molecular Orbital 60%
• Molecular Orbital 20%
• Electron Affinity 20%
• Organic Molecule 20%
• Ground State 20%
• Ionization Potential 20%
• Quantum Chemical Calculations 20%

Material Science

• Density 100%