Ab initio and RRKM calculations for multichannel rate constants of the C₂H₃ + O₂ reaction

Keyphrases

• Formaldehyde 100%
• Multi-channel 100%
• RRKM Calculation 100%
• Ab Initio Calculations 100%
• Acetylene 66%
• Low Pressure 33%
• Reaction Pathway 33%
• Temperature Range 33%
• Atmospheric Pressure 33%
• Potential Energy Surface 33%
• Room Temperature 33%
• High Temperature 33%
• Oxygen Atom 33%
• Transition State 33%
• Rate-determining Step 33%
• Reaction Rate Constant 33%
• Intermediate State 33%
• Product Channel 33%
• Molecular Oxygen 33%
• MP2 Method 33%
• Molecular Parameters 33%
• Hydrogen Migration 33%
• Energetic Parameters 33%
• TS-13 33%
• Vinyl Radical 33%
• Oxygen Migration 33%

Chemistry

• Rate Constant 100%
• Møller-Plesset Perturbation Theory 66%
• Hydrogen 33%
• Potential Energy Surface 33%
• Ambient Reaction Temperature 33%
• Transition State 33%
• Energetics 33%
• Rate-Determining Step 33%
• Reaction Rate Constant 33%
• Dioxygen 33%
• Oxygen Atom 33%