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DFT model for copper-catalyzed hydrosilylation of styrene (L = DCyPE). M06/6-311+G(d,p) SDD/SMD(THF)//B3LYP/6-31G(d)-SDD Gibbs free energy values displayed in kcal/mol. Corresponding PBE0/6-311+G(d,p)-SDD/SMD(THF)//B3LYP/6-31G(d)-SDD values shown in brackets. Key bond distances shown in units of Å. Carbon-bonded hydrogen atoms are omitted for clarity.
