In this subsection, two analysis methods involving weak interactions and reactive site charges are carried out for the transition state conformers to provide insights into the influence mechanism of transition state conformers on activation Gibbs free energies. For the convenience of illustrating the energy differences between conformers in a reaction system, a baseline energy is set for one conformer at 0 kJ/mol, and the relative energies of the other two conformers are then calculated based on the baseline value.