| Computational characterization of the role of the base in the Suzuki− Miyaura cross-coupling reaction AAC Braga, NH Morgon, G Ujaque, F Maseras Journal of the American Chemical Society 127 (25), 9298-9307, 2005 | 473 | 2005 |
| A DFT study of the full catalytic cycle of the Suzuki− Miyaura cross-coupling on a model system AAC Braga, G Ujaque, F Maseras Organometallics 25 (15), 3647-3658, 2006 | 460 | 2006 |
| Computational perspective on Pd-catalyzed C–C cross-coupling reaction mechanisms M Garcia-Melchor, AAC Braga, A Lledos, G Ujaque, F Maseras Accounts of chemical research 46 (11), 2626-2634, 2013 | 403 | 2013 |
| Gold-catalyzed [4C+ 2C] cycloadditions of allenedienes, including an enantioselective version with new phosphoramidite-based catalysts: mechanistic aspects of the divergence … I Alonso, B Trillo, F López, S Montserrat, G Ujaque, L Castedo, A Lledos, ... Journal of the American Chemical Society 131 (36), 13020-13030, 2009 | 296 | 2009 |
| 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 G Kovács, G Ujaque, A Lledós Journal of the American Chemical Society 130 (3), 853-864, 2008 | 228 | 2008 |
| C− C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment M Perez-Rodriguez, AAC Braga, M Garcia-Melchor, MH Perez-Temprano, ... Journal of the American Chemical Society 131 (10), 3650-3657, 2009 | 222 | 2009 |
| Computational study of the transmetalation process in the Suzuki–Miyaura cross-coupling of aryls AAC Braga, NH Morgon, G Ujaque, A Lledós, F Maseras Journal of organometallic chemistry 691 (21), 4459-4466, 2006 | 203 | 2006 |
| Single-site homogeneous and heterogeneized gold (III) hydrogenation catalysts: mechanistic implications A Comas-Vives, C González-Arellano, A Corma, M Iglesias, F Sánchez, ... Journal of the American Chemical Society 128 (14), 4756-4765, 2006 | 182 | 2006 |
| Theory does not support an osmaoxetane intermediate in the osmium-catalyzed dihydroxylation of olefins S Dapprich, G Ujaque, F Maseras, A Lledós, DG Musaev, K Morokuma Journal of the American Chemical Society 118 (46), 11660-11661, 1996 | 179 | 1996 |
| Acid activation in phenyliodine dicarboxylates: direct observation, structures, and implications S Izquierdo, S Essafi, I Del Rosal, P Vidossich, R Pleixats, A Vallribera, ... Journal of the American Chemical Society 138 (39), 12747-12750, 2016 | 163 | 2016 |
| Gold‐catalyzed [4C+ 3C] intramolecular cycloaddition of allenedienes: synthetic potential and mechanistic implications B Trillo, F Lopez, S Montserrat, G Ujaque, L Castedo, A Lledos, ... Chemistry–A European Journal 15 (14), 3336-3339, 2009 | 157 | 2009 |
| To Bend or Not To Bend: Dilemma of the Edge-Sharing Binuclear Square Planar Complexes of d8 Transition Metal Ions G Aullón, G Ujaque, A Lledós, S Alvarez, P Alemany Inorganic Chemistry 37 (4), 804-813, 1998 | 157 | 1998 |
| Gold (I)-catalyzed intermolecular oxyarylation of alkynes: unexpected regiochemistry in the alkylation of arenes AB Cuenca, S Montserrat, KM Hossain, G Mancha, A Lledos, ... Organic Letters 11 (21), 4906-4909, 2009 | 155 | 2009 |
| Hydrogen transfer to ketones catalyzed by Shvo's ruthenium hydride complex: a mechanistic insight A Comas-Vives, G Ujaque, A Lledós Organometallics 26 (17), 4135-4144, 2007 | 150 | 2007 |
| Calculation of reaction free energies in solution: a comparison of current approaches M Besora, P Vidossich, A Lledos, G Ujaque, F Maseras The Journal of Physical Chemistry A 122 (5), 1392-1399, 2018 | 129 | 2018 |
| Mechanistic exploration of the Pd-catalyzed copper-free Sonogashira reaction M Garcia-Melchor, MC Pacheco, C Najera, A Lledos, G Ujaque ACS Catalysis 2 (1), 135-144, 2012 | 129 | 2012 |
| Computational Evidence of the Importance of Substituent Bulk on Agostic Interactions in Ir(H)2(PtBu2Ph)2+ G Ujaque, AC Cooper, F Maseras, O Eisenstein, KG Caulton Journal of the American Chemical Society 120 (2), 361-365, 1998 | 127 | 1998 |
| A critical analysis of the cyclic and open alternatives of the transmetalation step in the Stille cross-coupling reaction A Nova, G Ujaque, F Maseras, A Lledós, P Espinet Journal of the American Chemical Society 128 (45), 14571-14578, 2006 | 122 | 2006 |
| Self-Assembly of Mercaptane− Metallacarborane Complexes by an Unconventional Cooperative Effect: A C− H⊙⊙⊙ S− H⊙⊙⊙ H− B Hydrogen/Dihydrogen Bond Interaction JG Planas, C Viñas, F Teixidor, A Comas-Vives, G Ujaque, A Lledós, ... Journal of the American Chemical Society 127 (45), 15976-15982, 2005 | 122 | 2005 |
| C− H oxidative addition of bisimidazolium salts to iridium and rhodium complexes, and N-heterocyclic carbene generation. A combined experimental and theoretical study M Viciano, M Poyatos, M Sanaú, E Peris, A Rossin, G Ujaque, A Lledós Organometallics 25 (5), 1120-1134, 2006 | 121 | 2006 |
Agusti LledosProfessor, Dep. Quimica, Universitat Autonoma de BarcelonaPatvirtintas el. paštas uab.cat