DFT study on the iridium-catalyzed multi-alkylation of alcohol with ammonia

Engineering & Materials Science

• Alkylation 100%
• Density functional theory 99%
• Iridium 98%
• Alcohols 73%
• Ammonia 71%
• Ligands 66%
• Amines 59%
• Catalysts 56%
• Hydrides 42%
• Hydrogenation 21%
• Dehydration 20%
• Oxidation 14%
• Metals 10%
• Water 9%

Chemical Compounds

• Ammonia 50%
• Benzaldehyde 43%
• Alcohol 40%
• Hydride 37%
• Electric Effect 34%
• Benzyl Alcohols 30%
• Ligand 29%
• Catalyst 27%
• Steric Effect 22%
• Rate-Determining Step 21%
• Imine 19%
• Dehydration 18%
• Water Soluble 17%
• Hydrogenation 16%
• Density Functional Theory 13%
• Reduction 10%
• Oxidation Reaction 10%