Ab initio reaction path analysis of benzene hydrogenation to cyclohexane on Pt(111)

Engineering & Materials Science

• Cyclohexane 100%
• Hydrogenation 86%
• Benzene 83%
• Hydrogen 32%
• Adatoms 26%
• Reaction intermediates 24%
• Density functional theory 20%
• Activation energy 14%

Physics & Astronomy

• cyclohexane 80%
• hydrogenation 75%
• benzene 67%
• methylene 34%
• hydrogen 25%
• reaction intermediates 20%
• products 17%
• adatoms 13%
• density functional theory 10%
• activation energy 10%
• interactions 5%

Chemical Compounds

• Cyclohexane 62%
• Hydrogenation 50%
• Benzene 47%
• Methylene Group 29%
• Hydrogen 20%
• Cyclohexadiene 18%
• Reaction Intermediate 14%
• Cyclohexene 14%
• Reaction Activation Energy 9%
• Density Functional Theory 8%