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Rationalization of the mechanism of in situ Pd(0) formation for cross-coupling reactions from novel unsymmetrical pincer palladacycles using DFT calculations

Asymmetric CatalysisSitu PdCross-coupling ReactionEngineeringAlkene MetathesisOrganometallic CatalysisComputational ChemistryCatalysisChemistryDft CalculationsCross-coupling ReactionsBiophysicsLinear Chain Compound