Kinetics and mechanism for the C₆H₅ + CH₃CHO reaction: A computational and experimental study

Keyphrases

• Formaldehyde 100%
• Acetaldehyde 100%
• B3LYP 66%
• Cavity Ring-down 66%
• Spectrometry 66%
• Aldehydes 33%
• Reaction Barrier 33%
• OH Radical 33%
• Low Reaction 33%
• Density Functional Calculations 33%
• Overall Rate 33%
• Soot Formation 33%
• Hybrid Density Functional Theory 33%
• H-abstraction Reaction 33%
• Incipient Stage 33%

Chemistry

• DFT-B3LYP Calculation 100%
• Rate Constant 50%
• formation 50%
• Density Functional Theory 50%

Chemical Engineering

• Spectrometry 100%