The article is organized as follows. Section 2 provides a summary of the fundamental prin-ciples of the cDFT approach and the Sabatier principle, followed by our theoretical study of the Sabatier principle for simple unimolecular reactions in section 3. The validity of our theoretical framework is confirmed in section 4 through a comparison of numerical and experimental values for the reaction of methyl eugenol to cis-and trans-methyl isoeugenol and the cyclization of alkanes. We conclude and summarize in section 5.