Theoretical insights into the sites and mechanisms for base catalyzed esterification and aldol condensation reactions over Cu

Chemical Compounds

• Propanal 100%
• Aldol Condensation 84%
• Condensation Reaction 71%
• Alkanal 67%
• Esterification 66%
• Condensation 21%
• Surface 20%
• Decarbonylation 17%
• Hydrogen 14%
• Propyl Propionate 14%
• Hemiacetal 9%
• Polyol 7%
• Electron Density 6%
• Proton Transfer 6%
• Carbonyl Group 6%
• Dehydration 6%
• Hydride 6%
• Metal Oxide 6%
• Fuel 6%
• Density Functional Theory 4%
• Energy 3%
• Carbon Atom 3%
• Catalyst 3%
• Reaction Yield 2%
• Acid 2%

Physics & Astronomy

• condensation 64%
• alkoxides 49%
• pentanone 37%
• hydrogen 17%
• attack 15%
• products 14%
• activation 11%
• biomass 9%
• dehydration 9%
• hydrides 7%
• metal oxides 7%
• catalysts 6%
• acids 6%
• routes 6%
• density functional theory 5%
• carbon 4%
• protons 4%
• energy 2%