Investigations of the electronic structure of arene-bridged diuranium complexes

Keyphrases

• Electronic Structure 100%
• Toluene 100%
• Arenes 100%
• Complete Active Space Self-consistent Field (CASSCF) 75%
• Magnetic Properties 50%
• Uranium 50%
• Molecular Structure 25%
• Electronic Properties 25%
• Density Functional Theory 25%
• Behavior-based 25%
• Density Functional 25%
• X-ray Crystallography 25%
• Second-order Perturbation Theory 25%
• Spectroscopic Data 25%
• CASPT2 Calculations 25%
• CASPT2 25%
• UV-VIS Spectroscopy 25%
• X-ray Crystal Structure 25%
• Uranium Complexes 25%
• Structure Behavior 25%
• X-ray Absorption Near Edge Structure (XANES) 25%
• Solution Behavior 25%
• Absorption Properties 25%
• Bridged Complexes 25%
• Variable Temperature NMR 25%
• XANES Spectroscopy 25%
• Amide Compound 25%
• Structure Interpretation 25%
• Near-IR Absorption 25%
• Unpaired Electrons 25%
• Mononuclear Compounds 25%

Chemistry

• Electronic State 100%
• CASSCF Calculation 100%
• Uranium 100%
• Diuranium 100%
• Magnetic Property 66%
• XANES Spectroscopy 66%
• NMR Spectroscopy 33%
• UV/VIS Spectroscopy 33%
• Crystal Structure 33%
• Density Functional Theory 33%
• k·p perturbation theory 33%
• Substance Spectroscopy 33%
• Electronic Property 33%
• Mononuclear Compounds 33%
• Lowest Unoccupied Molecular Orbital 33%
• NIR Spectroscopy 33%
• Carboxamide 33%
• IR Absorption 33%
• Near Edge X Ray Absorption Fine Structure Spectroscopy 33%
• Solution Behavior 33%
• Molecular Structure 33%
• X-Ray Crystallography 33%
• Perturbation Theory 33%

Material Science

• Uranium 100%
• Energy Levels 100%
• Density 66%
• Magnetic Property 66%
• X-Ray Absorption near Edge Structure 66%
• Nuclear Magnetic Resonance 33%
• Electronic Property 33%
• X-Ray Crystallography 33%
• Molecular Structure 33%
• Mononuclear Compounds 33%
• Crystal Structure 33%