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- W2983494334 endingPage "112638" @default.
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- W2983494334 abstract "Palladium(II) complexes are important in organometallic chemistry because they are easily stored and handled due to their electrophilicity and solubility in most common organic solvents. Here, we study the potential energy surface of the reaction of Pd(II)-catalyzed nucleophilic addition initiated by aminopalladation using density functional theory calculations and elucidate its mechanism. The results show that the reaction paths suggested in He et al. [32] are unlikely to occur due to the high energy of their reaction barriers. We also propose a new reaction path that can produce the corresponding products." @default.
- W2983494334 created "2019-11-22" @default.
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- W2983494334 date "2019-12-01" @default.
- W2983494334 modified "2023-10-16" @default.
- W2983494334 title "Theoretical study of the mechanism of Pd(II)-catalyzed nucleophilic addition initiated by aminopalladation" @default.
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- W2983494334 doi "https://doi.org/10.1016/j.comptc.2019.112638" @default.
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