Perspectives on the first principles elucidation and the design of active sites

Chemical Compounds

• Statistical Ensemble 100%
• Vinyl Acetate 72%
• Hydrogenation 49%
• Hydrocarbon 47%
• Atomistic Simulation 43%
• Probe 40%
• Surface Composition 36%
• Hydrogenolysis 35%
• Byproduct 33%
• Surface 31%
• Transfer Reaction 31%
• Chemical Method 31%
• Dehydrogenation 30%
• Ethane 30%
• Proton Transfer 30%
• Hydroxyl 27%
• Alloy 23%
• Diffusion 20%
• Environment 19%
• Hydrogen 16%
• Energy 15%

Engineering & Materials Science

• Chemical activation 89%
• Hydrogenation 84%
• Metals 64%
• Proton transfer 61%
• Hydrocarbons 59%
• Hydrogenolysis 58%
• Water 54%
• Dehydrogenation 46%
• Ethane 42%
• Surface structure 40%
• Byproducts 34%
• Atoms 34%
• Hydrogen 26%
• Engineers 23%

Physics & Astronomy

• selectivity 40%
• activation 34%
• hydrogenation 31%
• acetates 31%
• hydrocarbons 27%
• hydrogenolysis 24%
• water 24%
• metals 21%
• synthesis 20%
• dehydrogenation 18%
• probes 17%
• ethane 16%
• simulation 16%
• engineers 14%
• atomic structure 14%
• protons 9%
• products 9%
• hydrogen 8%
• kinetics 8%
• atoms 7%