Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
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Transmetallation versus β-hydride elimination: the role of 1,4-benzoquinone in chelation-controlled arylation reactions with arylboronic acids.Development of Chiral Bis-hydrazone Ligands for the Enantioselective Cross-Coupling Reactions of Aryldimethylsilanolates.Suzuki-Miyaura cross-coupling of aryl carbamates and sulfamates: experimental and computational studies.Mechanistic significance of the si-o-pd bond in the palladium-catalyzed cross-coupling reactions of arylsilanolatesStrain-induced growth of oriented graphene layers revealed by in situ transmission electron microscopy observation.Experiment and computation: a combined approach to study the reactivity of palladium complexes in oxidation states 0 to IV.A Combined Experimental/Computational Study of the Mechanism of a Palladium-Catalyzed Bora-Negishi Reaction.Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.Site-selective Suzuki-Miyaura coupling of heteroaryl halides - understanding the trends for pharmaceutically important classes.Computational Study of the Palladium-Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of PtBu3 and CO on Reductive Elimination.Organometallic reactivity: the role of metal-ligand bond energies from a computational perspective.Palladium-catalyzed directing group-assisted C8-triflation of naphthalenes.Pd-catalyzed aerobic oxidative coupling of arenes: evidence for transmetalation between two Pd(II)-aryl intermediates.Oxidative addition to palladium(0) diphosphine complexes: observations of mechanistic complexity with iodobenzene as reactant.Solvent effect on palladium-catalyzed cross-coupling reactions and implications on the active catalytic species.A fundamental analysis of enhanced cross-coupling catalytic activity for palladium clusters on graphene supports.Scalable synthesis of oxazolones from propargylic alcohols through multistep palladium(II) catalysis: β-selective oxidative Heck coupling of cyclic sulfonyl enamides and aryl boroxines.Palladium monophosphine Pd(PPh3): is it really accessible in solution?Viable pathways for the oxidative addition of iodobenzene to palladium(0)-triphenylphosphine-carbonyl complexes: a theoretical study.Mechanism and Origins of Ligand-Controlled Stereoselectivity of Ni-Catalyzed Suzuki-Miyaura Coupling with Benzylic Esters: A Computational Study.Combined DFT and experimental studies of C-C and C-X elimination reactions promoted by a chelating phosphine-alkene ligand: the key role of penta-coordinate Pd(II.).Providing support in favor of the existence of a Pd(II)/Pd(IV) catalytic cycle in a Heck-type reaction.An immobilized symmetrical bis-(NHC) palladium complex as a highly efficient and recyclable Suzuki-Miyaura catalyst in aerobic aqueous media.Mechanistic Insights into Palladium-Catalyzed Silylation of Aryl Iodides with Hydrosilanes through a DFT Study.γ-Al2O3 supported Pd@CeO2 core@shell nanospheres: salting-out assisted growth and self-assembly, and their catalytic performance in CO oxidation.Why different ligands can control stereochemistry selectivity of Ni-catalyzed Suzuki-Miyaura cross-coupling of benzylic carbamates with arylboronic esters: a mechanistic study.Bridging organometallics and quantum chemical topology: Understanding electronic relocalisation during palladium-catalyzed reductive elimination.A DFT Study on the Conversion of Aryl Iodides to Alkyl Iodides: Reductive Elimination of R-I from Alkylpalladium Iodide Complexes with Accessible β-Hydrogens.Single crystal to single crystal (SC-to-SC) transformation from a nonporous to porous metal-organic framework and its application potential in gas adsorption and Suzuki coupling reaction through postmodification.A new type of oxidative addition of an iodoarene to a Pd(II) complex.Palladium dichloride adduct of N,N-bis-(diphenylphosphanylmethyl)-2-aminopyridine: synthesis, structure and catalytic performance in the decarboxylative cross-coupling of 4-picolinic acid with aryl bromide.Thiolate–palladium(iv) or sulfonium–palladate(0)? A theoretical study on the mechanism of palladium-catalyzed C–S bond formation reactionsRecyclable palladium–graphene nanocomposite catalysts containing ionic polymers: efficient Suzuki coupling reactionsThrough the Maze: Cross-Coupling Pathways to a Helical Hexaphenyl “Geländer” MoleculeThe Transmetalation Process in Suzuki-Miyaura Reactions: Calculations Indicate Lower Barrier via Boronate IntermediateUnderstanding palladium complexes structures and reactivities: beyond classical point of viewDFT Study on the Oxidative Addition of 4-Substituted Iodobenzenes on Pd(0)-Phosphine Complexes
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P2860
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
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article científic
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article scientifique
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articolo scientifico
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artigo científico
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bilimsel makale
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scientific article published on 02 December 2009
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vedecký článok
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vetenskaplig artikel
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videnskabelig artikel
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vědecký článek
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name
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@en
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@nl
type
label
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@en
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@nl
prefLabel
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@en
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@nl
P2860
P356
P1476
Theoretical aspects of palladium-catalysed carbon-carbon cross-coupling reactions.
@en
P2860
P304
P356
10.1039/B814973A
P577
2009-12-02T00:00:00Z