Hi, Vinícius! Congratulations on your excellent work! Just for the sake of curiosity:

1) How would you explain such an impressive agreement with experiment at the single-reference level of theory? Correct me if I am wrong, but the intermediate species are in doublet states, aren't they?

2) Also, do the OH-initiated intermediates undergo further unimolecular decomposition? If so, do they obey the Lindemann Mechanism? If not, would the fast-equilibrium approximation apply? Could you please clarify that? Thank you!