Identifying the Interactions That Allow Separation of O₂ from N₂ on the Open Iron Sites of Fe₂(dobdc)

Chemical Compounds

• Ground State 87%
• Cluster Model 68%
• Iron Atom 64%
• Bond Order 63%
• Spin State 62%
• Vibrational Frequency 53%
• Metal Organic Framework 48%
• Orbital 46%
• Enthalpy 43%
• Charge Transfer 38%
• Molecular Cluster 36%
• Density Functional Theory 34%
• Porosity 32%
• Adsorption 27%
• Dioxygen 27%
• Energy 26%
• Metal 24%
• Molecule 19%

Engineering & Materials Science

• Iron 100%
• Metalorganic frameworks 87%
• Ground state 83%
• Atoms 57%
• Metal-Organic Frameworks 44%
• Vibrational spectra 43%
• Adsorbates 41%
• Density functional theory 41%
• Charge transfer 35%
• Enthalpy 28%
• Molecules 27%
• Adsorption 26%
• Porosity 23%
• Metals 17%
• Air 15%
• Experiments 9%

Physics & Astronomy

• iron 79%
• interactions 44%
• ground state 36%
• metals 28%
• atoms 28%
• functionals 26%
• enthalpy 24%
• charge transfer 23%
• density functional theory 21%
• adsorption 21%
• porosity 20%
• orbitals 19%
• air 16%
• molecules 14%
• energy 8%