DFT and CASPT2 analysis of polymetallic uranium nitride and oxide complexes: How theory can help when X-ray analysis is inadequate

Engineering & Materials Science

• X ray analysis 73%
• Nitrides 58%
• Uranium 56%
• Discrete Fourier transforms 53%
• Molecules 47%
• Oxides 41%
• Density functional theory 36%
• Electronic structure 36%
• Ligands 32%
• Conformations 30%
• Boats 28%
• X rays 22%

Medicine & Life Sciences

• uranium oxide 100%
• Oxides 58%
• Density Functional Theory 42%
• X-Rays 37%
• Ships 32%
• Ligands 17%

Chemical Compounds

• Nitride 47%
• Oxide 26%
• Electronic State 17%
• Molecule 16%
• Density Functional Theory 15%
• X-Ray 14%
• Chemistry 14%
• Ligand 10%