| 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 | 405 | 2013 |
| Transition metal polyhydrides: from qualitative ideas to reliable computational studies F Maseras, A Lledós, E Clot, O Eisenstein Chemical Reviews 100 (2), 601-636, 2000 | 392 | 2000 |
| 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 | 295 | 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 Lledos Journal of the American Chemical Society 130 (3), 853-864, 2008 | 225 | 2008 |
| Elongated dihydrogen complexes: what remains of the H–H Bond? DM Heinekey, A Lledós, JM Lluch Chemical Society Reviews 33 (3), 175-182, 2004 | 206 | 2004 |
| 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 | 200 | 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 | 174 | 1996 |
| Analysis of solvent effects on the Menshutkin reaction M Sola, A Lledos, M Duran, J Bertran, JLM Abboud Journal of the American Chemical Society 113 (8), 2873-2879, 1991 | 174 | 1991 |
| 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 | 161 | 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 | 159 | 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 | 158 | 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 | 154 | 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 | 149 | 2007 |
| Ligand macrocycle structural effects on copper− dioxygen reactivity BMT Lam, JA Halfen, VG Young, JR Hagadorn, PL Holland, A Lledós, ... Inorganic chemistry 39 (18), 4059-4072, 2000 | 136 | 2000 |
| 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 | 133 | 2012 |
| 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 | 128 | 2018 |
| Breaking C–F bonds via nucleophilic attack of coordinated ligands: transformations from C–F to C–X bonds (X= H, N, O, S) A Nova, R Mas-Balleste, A Lledos Organometallics 31 (4), 1245-1256, 2012 | 125 | 2012 |
| 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 |
| An artificial heme enzyme for cyclopropanation reactions L Villarino, KE Splan, E Reddem, L Alonso‐Cotchico, ... Angewandte Chemie International Edition 57 (26), 7785-7789, 2018 | 120 | 2018 |
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