Quantum Chemical and RRKM Investigation of the Elementary Channels of the Reaction C6H6 + O (3P)

Chemistry

• formation 100%
• Density Functional Theory 50%
• Transition State 50%
• Reaction Activation Energy 50%
• DFT-B3LYP Calculation 50%
• Ab Initio Calculation 50%
• Cyclopentadienyl 50%
• Triplet Ground State 50%
• Phenol 50%
• Vibrational Spectra 50%