Density functional studies on diimine chelated palladium complex catalyzed Suzuki–Miyaura cross-coupling reaction: the impact of Lewis base employed in transmetallation process

Aromaticity and Activation Strain Analysis of [3 + 2] Cycloaddition Reactions between Group 14 Heteroallenes and Triple Bonds

(2011) Israel Fernández et al.   JOURNAL OF ORGANIC CHEMISTRY

A General and Selective Iron-Catalyzed Aminocarbonylation of Alkynes: Synthesis of Acryl- and Cinnamides

(2010) Katrin Marie Driller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aryl Trifluoroborates in Suzuki-Miyaura Coupling: The Roles of Endogenous Aryl Boronic Acid and Fluoride

(2010) Mike Butters et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From Noble Metal to Nobel Prize: Palladium-Catalyzed Coupling Reactions as Key Methods in Organic Synthesis

(2010) Xiao-Feng Wu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical and computational studies of organometallic reactions: successful or not?

(2010) Shigeyoshi Sakaki et al.   CHEMICAL RECORD

Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki−Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations

(2010) Xiaoqiang Shen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A DFT Study of the Effect of the Ligands in the Reductive Elimination from Palladium Bis(allyl) Complexes†

(2010) Martín Pérez-Rodríguez et al.   ORGANOMETALLICS

Abnormal N-Heterocyclic Carbene Promoted Suzuki−Miyaura Coupling Reaction: A Comparative Study

(2010) Xiangya Xu et al.   ORGANOMETALLICS

Mechanism of the Reaction of Vinyl Chloride with (α-diimine)PdMe+Species

(2010) Stefan M. Kilyanek et al.   ORGANOMETALLICS

Synthesis, Structure, and Temperature-Dependent Dynamics of Neutral Palladium Allyl Complexes of Annulated Diaminocarbenes and Their Catalytic Application for C−C and C−N Bond Formation Reactions†

(2010) Sarim Dastgir et al.   ORGANOMETALLICS

Transition Metal-Catalyzed Direct Arylation of Substrates with Activated sp3-Hybridized C−H Bonds and Some of Their Synthetic Equivalents with Aryl Halides and Pseudohalides

(2009) Fabio Bellina et al.   CHEMICAL REVIEWS

Theoretical aspects of palladium-catalysed carbon–carbon cross-coupling reactions

(2009) Liqin Xue et al.   CHEMICAL SOCIETY REVIEWS

The Steric Nature of the Bite Angle

(2009) Willem-Jan van Zeist et al.   CHEMISTRY-A EUROPEAN JOURNAL

Ab initio transition state theory for polar reactions in solution

(2009) Jeremy N. Harvey   FARADAY DISCUSSIONS

Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

(2009) Yan Zhao et al.   Journal of Chemical Theory and Computation

Why Is the Suzuki−Miyaura Cross-Coupling of sp3Carbons in α-Bromo Sulfoxide Systems Fast and Stereoselective? A DFT Study on the Mechanism

(2009) Christophe Gourlaouen et al.   JOURNAL OF ORGANIC CHEMISTRY

Metal−Phosphine Bond Strengths of the Transition Metals: A Challenge for DFT†

(2009) Yury Minenkov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Mechanism of Ni-Catalyzed Selective C−O Bond Activation in Cross-Coupling of Aryl Esters

(2009) Zhe Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Orthogonal Cu- and Pd-Based Catalyst Systems for the O- and N-Arylation of Aminophenols

(2009) Debabrata Maiti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isomerization Polymerization of 4-Alkylcyclopentenes Catalyzed by Pd Complexes: Hydrocarbon Polymers with Isotactic-Type Stereochemistry and Liquid-Crystalline Properties

(2009) Takeshi Okada et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Subtle Balance of Ligand Steric Effects in Stille Transmetalation

(2009) Alireza Ariafard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C−C Reductive Elimination in Palladium Complexes, and the Role of Coupling Additives. A DFT Study Supported by Experiment

(2009) Martín Pérez-Rodríguez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical Analysis of the Catalytic Cycle of a Nickel Cross-Coupling Process: Application of the Energetic Span Model

(2009) Sebastian Kozuch et al.   ORGANOMETALLICS

Palladium-Catalyzed Suzuki−Miyaura Cross-Coupling Reactions Employing Dialkylbiaryl Phosphine Ligands

(2008) Ruben Martin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Cross Coupling

(2008) Stephen L. Buchwald   ACCOUNTS OF CHEMICAL RESEARCH

Well-Defined N-Heterocyclic Carbenes−Palladium(II) Precatalysts for Cross-Coupling Reactions

(2008) Nicolas Marion et al.   ACCOUNTS OF CHEMICAL RESEARCH

Surveying Sterically Demanding N-Heterocyclic Carbene Ligands with Restricted Flexibility for Palladium-catalyzed Cross-Coupling Reactions

(2008) Sebastian Würtz et al.   ACCOUNTS OF CHEMICAL RESEARCH

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Density Functional Studies on Palladium-Catalyzed Suzuki–Miyaura Cross-Coupling Reactions Assisted by N- or P-Chelating Ligands

(2008) Yi-Luen Huang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Synthesis of Chlorinated Biphenyls by Suzuki Cross-Coupling Using Diamine or Diimine-Palladium Complexes

(2008) Tuula Kylmälä et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules

(2008) Julian Tirado-Rives et al.   Journal of Chemical Theory and Computation

Synthesis and catalytic applications of sulfonate β-ketoimine and β-diimine in the Suzuki reaction in aqueous phase

(2008) Xuming Guo et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Aqueous Suzuki coupling reaction catalyzed by water-soluble diimine/Pd(II) systems

(2008) Jin Zhou et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

C2-Symmetric Bis-Hydrazones as Ligands in the Asymmetric Suzuki−Miyaura Cross-Coupling

(2008) Antonio Bermejo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and Palladium(II)−Vinyl Complex? Theoretical Study

(2008) Akihiro Sugiyama et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Living Ring-Opening Polymerization of 2-Alkoxy-1-methylenecyclopropanes Initiated by Pd Complexes

(2008) Daisuke Takeuchi et al.   MACROMOLECULES

Theoretical Study on Monoligated Pd-Catalyzed Cross-Coupling Reactions of Aryl Chlorides and Bromides

(2008) Zhe Li et al.   ORGANOMETALLICS

Associative Transmetalation in the Stille Cross-Coupling Reaction to Form Dienes: Theoretical Insights into the Open Pathway

(2008) Rosana Álvarez et al.   ORGANOMETALLICS