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- W2023455718 abstract "A computational study with the B3PW91 density functional theory was carried out on the activation process of palladacycles as catalysts in the Heck reaction. Two possible pathways (i.e. anion reductive cleavage of the Pd–C bond, and olefin insertion into the Pd–C bond followed by β-H elimination) were taken into consideration. Computational results indicate that the palladacycles are activated via olefin insertion into the Pd–C bond followed by β-H elimination in the reaction conditions." @default.
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- W2023455718 date "2008-02-01" @default.
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- W2023455718 title "Theoretical Study on Catalyst Activation of Palladacycles in Heck Reaction" @default.
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