A computational study of the mechanism for the C ₆ H ₅ + CH ₂ O reaction

Keyphrases

• 1,2-addition 50%
• Abstraction Reaction 100%
• B3LYP 100%
• Chemical Theory 50%
• Computational Study 100%
• Energy Barrier 50%
• Energy Structure 50%
• Epoxy 50%
• Hybrid Density Functional 50%
• Isomerization 50%
• Isomerization Reaction 50%
• O Atom 50%
• O Radical 50%
• Quantum Chemistry 50%
• Reaction Channel 50%
• RRKM Calculation 50%
• Statistical Theory 50%
• Theory Calculation 50%
• Transition State Theory Calculations 50%

Chemistry

• DFT-B3LYP Calculation 100%
• Energy Barrier 50%
• Isomerization 100%
• Rate Constant 50%
• Transition State Theory 50%