Gregori Ujaque

A DFT Study of the Full Catalytic Cycle of the Suzuki−Miyaura Cross-Coupling on a Model System

Ataualpa Albert Carmo Braga, Gregori Ujaque, Feliu Maseras · Organometallics · 2006 · 373 citations

Engineering, Organic Chemistry, Computational Chemistry +16

Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms

Max García‐Melchor, Ataualpa Albert Carmo Braga, Agustı́ Lledós et al. · Accounts of Chemical Research · 2013 · 371 citations

Cross-coupling Reaction, Engineering, Computational Perspective +12

Computational Characterization of the Role of the Base in the Suzuki−Miyaura Cross-Coupling Reaction

Ataualpa Albert Carmo Braga, Nelson H. Morgon, Gregori Ujaque et al. · Journal of the American Chemical Society · 2005 · 338 citations

Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways

Isaac Alonso, Beatriz Trillo, Fernando López et al. · Journal of the American Chemical Society · 2009 · 273 citations

Inorganic Chemistry, Enantioselective Synthesis, Engineering +13

The Reaction Mechanism of the Hydroamination of Alkenes Catalyzed by Gold(I)−Phosphine:  The Role of the Counterion and the N-Nucleophile Substituents in the Proton-Transfer Step

Gábor Kovács, Gregori Ujaque, Agustı́ Lledós · Journal of the American Chemical Society · 2008 · 201 citations

Proton-transfer Step, Alkenes Catalyzed, Biochemistry +12