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Nevertheless, in this final section we present a quantum mechanics validation of this mechanism through full DFT localization of the transition states for the insertion reaction of propene into the Zr-isobutyl bond of two typical stereospecific homogeneous catalysts. The first system is based on the racemic-dimethylsilyl-bis-1-indenyl zirconocene, with a symmetry of coordination of the aromatic ligand, and the actual catalyst leads to a highly isotactic polymer. The second system is based on the dimethylsilylcyclopentadienyl-9-fluorenyl zirconocene, with a symmetry of coordination of the aromatic ligand, and the corresponding catalyst leads to a highly syndiotactic polymer.