Mechanistic investigation of propylene epoxidation with H₂O₂ over TS-1: Active site formation, intermediate identification, and oxygen transfer pathway

Physics & Astronomy

• epoxidation 100%
• propylene 68%
• oxygen 34%
• dissociation 15%
• rings 13%
• defects 10%
• configurations 10%
• chemistry 8%
• density functional theory 7%
• kinetics 5%

Engineering & Materials Science

• Epoxidation 99%
• Propylene 66%
• Oxygen 46%
• Vacancies 25%
• Density functional theory 14%
• Defects 13%

Chemical Compounds

• Propene 47%
• Dioxygen 27%
• Dissociation 13%
• Silanol 10%
• Density Functional Theory 5%
• Hydrogen Bond 5%
• Chemistry 5%