Correlating acid properties and catalytic function: a first-principles analysis of alcohol dehydration pathways on polyoxometalates

Engineering & Materials Science

• Polyoxometalates 100%
• Deprotonation 68%
• Dehydration 63%
• Alcohols 55%
• Acids 46%
• Protons 20%
• Dimers 17%
• Substitution reactions 16%
• Chemical activation 15%
• Positive ions 14%
• Equilibrium constants 8%
• Density functional theory 8%
• Acidity 7%
• Rate constants 6%
• Atoms 5%
• Molecules 5%
• Ions 5%
• Hydrocarbons 5%
• Oxides 4%
• Catalysts 4%
• Compensation and Redress 4%
• Carbon 4%
• Chemical analysis 3%

Physics & Astronomy

• dehydration 63%
• alcohols 53%
• acids 45%
• elimination 31%
• activation 15%
• substitutes 15%
• energy 15%
• affinity 14%
• protons 12%
• dimers 11%
• cations 10%
• acidity 8%
• interactions 7%
• cleavage 6%
• reactivity 6%
• hydrocarbons 6%
• catalysts 5%
• fragments 5%
• density functional theory 4%
• carbon 4%
• oxides 3%
• probes 3%
• molecules 3%
• atoms 3%
• ions 2%

Chemical Compounds

• Dehydration 43%
• Alcohol 30%
• Energy 21%
• Transition State 18%
• Proton Affinity 13%
• Elimination Rate Constant 9%
• Strength 7%
• Cation 6%
• Hydrocarbon 4%
• Cleavage 3%
• Proton 3%
• Density Functional Theory 3%
• Probe 3%
• Oxide 3%
• Catalyst 2%