Density functional theory studies of UO₂²⁺ and NpO₂⁺ complexes with carbamoylmethylphosphine oxide ligands

Physics & Astronomy

• ligands 100%
• density functional theory 76%
• oxides 61%
• phosphines 54%
• phenyls 43%
• metals 30%
• hydration 20%
• oxygen atoms 20%
• pseudopotentials 19%
• stoichiometry 19%
• selectivity 18%
• binding energy 16%
• substitutes 15%
• rings 13%
• ions 9%
• interactions 7%
• energy 5%

Chemistry

• Phosphine Oxide 76%
• Oxide 53%
• Ligand 43%
• Pseudopotential 41%
• Phosphoryl 37%
• Binding Energy 29%
• Reaction Stoichiometry 26%
• Oxygen Atom 26%
• Substitution Reaction 20%
• Density Functional Theory 20%
• Energy 15%
• Metal 14%
• Ion 13%