Computational screening of MOF-supported transition metal catalysts for activity and selectivity in ethylene dimerization

Engineering & Materials Science

• Dimerization 100%
• Metalorganic frameworks 93%
• Transition metals 86%
• Catalyst selectivity 86%
• Catalyst activity 73%
• Ethylene 61%
• Screening 55%
• Catalysts 49%
• Metals 37%
• Metal-Organic Frameworks 31%
• Density functional theory 29%
• Butenes 24%
• Electrons 19%
• Substitution reactions 19%
• Oxides 16%

Physics & Astronomy

• dimerization 73%
• ethylene 57%
• selectivity 55%
• catalysts 54%
• screening 51%
• transition metals 49%
• metals 18%
• butenes 15%
• metal oxides 11%
• substitutes 9%
• density functional theory 9%
• cycles 7%
• electrons 4%

Chemical Compounds

• Dimerization 54%
• Catalyst 24%
• Isopropyl Group 22%
• Rate-Determining Step 19%
• Metal 17%
• Metal Organic Framework 17%
• Metal Oxide 16%
• Transition Element 14%
• Molecular Cluster 12%
• Substitution Reaction 12%
• Density Functional Theory 12%
• Modification 10%
• Application 6%