Catechol-Ligated Transition Metals: A Quantum Chemical Study on a Promising System for Gas Separation

Engineering & Materials Science

• Transition metals 100%
• Nitric oxide 66%
• Metal-Organic Frameworks 47%
• Metals 43%
• Gases 38%
• Binding energy 30%
• Density functional theory 14%
• Carbon capture 11%
• Ammonia 10%
• Molecules 9%
• Chemical activation 8%

Chemical Compounds

• Nitric Oxide 64%
• Transition Element 49%
• Gas 35%
• Metal Organic Framework 35%
• Metal 24%
• Binding Energy 23%
• Filtration 23%
• Toxic 20%
• CASSCF Calculation 18%
• Perturbation Theory 15%
• Environmental Pollutant 11%
• Density Functional Theory 8%
• Carbon Atom 6%
• Molecule 4%

Physics & Astronomy

• transition metals 56%
• nitric oxide 46%
• gases 34%
• metals 34%
• binding energy 12%
• contaminants 7%
• ammonia 7%
• self consistent fields 7%
• metal oxides 7%
• selectivity 7%
• perturbation theory 6%
• activation 6%
• density functional theory 5%
• synthesis 5%
• filters 5%
• carbon 5%
• molecules 4%