| Proton abstraction mechanism for the palladium-catalyzed intramolecular arylation D García-Cuadrado, AAC Braga, F Maseras, AM Echavarren Journal of the American Chemical Society 128 (4), 1066-1067, 2006 | 813 | 2006 |
| Proton-abstraction mechanism in the palladium-catalyzed intramolecular arylation: substituent effects D García-Cuadrado, P De Mendoza, AAC Braga, F Maseras, ... Journal of the American Chemical Society 129 (21), 6880-6886, 2007 | 566 | 2007 |
| 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 | 458 | 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 | 447 | 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 | 385 | 2013 |
| 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 | 216 | 2009 |
| First theoretical framework of triphenylamine–dicyanovinylene-based nonlinear optical dyes: structural modification of π-linkers MU Khan, M Khalid, M Ibrahim, AAC Braga, M Safdar, AA Al-Saadi, ... The Journal of Physical Chemistry C 122 (7), 4009-4018, 2018 | 210 | 2018 |
| 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 | 198 | 2006 |
| A Valuable, Inexpensive CuI/N‐Heterocyclic Carbene Catalyst for the Selective Diboration of Styrene V Lillo, MR Fructos, J Ramírez, AAC Braga, F Maseras, MM Díaz‐Requejo, ... Chemistry–A European Journal 13 (9), 2614-2621, 2007 | 173 | 2007 |
| Bidentate phosphines as ligands in the palladium-catalyzed intramolecular arylation: the intermolecular base-assisted proton abstraction mechanism S Pascual, P de Mendoza, AAC Braga, F Maseras, AM Echavarren Tetrahedron 64 (26), 6021-6029, 2008 | 156 | 2008 |
| Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells MU Khan, J Iqbal, M Khalid, R Hussain, AAC Braga, M Hussain, ... RSC advances 9 (45), 26402-26418, 2019 | 125 | 2019 |
| Descrições estruturais cristalinas de zeólitos AAC Braga, NH Morgon Química Nova 30, 178-188, 2007 | 125 | 2007 |
| Prediction of second-order nonlinear optical properties of D–π–A compounds containing novel fluorene derivatives: A promising route to giant hyperpolarizabilities MU Khan, M Ibrahim, M Khalid, AAC Braga, S Ahmed, A Sultan Journal of Cluster Science 30, 415-430, 2019 | 120 | 2019 |
| Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of … M Khalid, MA Ullah, M Adeel, MU Khan, MN Tahir, AAC Braga Journal of Saudi Chemical Society 23 (5), 546-560, 2019 | 107 | 2019 |
| Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: a combined experimental and theoretical study MN Arshad, AAM Al-Dies, AM Asiri, M Khalid, AS Birinji, KA Al-Amry, ... Journal of Molecular Structure 1141, 142-156, 2017 | 107 | 2017 |
| Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives MN Tahir, M Khalid, A Islam, SMA Mashhadi, AAC Braga Journal of Molecular Structure 1127, 766-776, 2017 | 102 | 2017 |
| Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells MU Khan, MY Mehboob, R Hussain, R Fatima, MS Tahir, M Khalid, ... Journal of Physical Organic Chemistry 34 (1), e4119, 2021 | 99 | 2021 |
| Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand S Naseem, M Khalid, MN Tahir, MA Halim, AAC Braga, MM Naseer, ... Journal of Molecular Structure 1143, 235-244, 2017 | 99 | 2017 |
| Mechanism of Alkane C− H Bond Activation by Copper and Silver Homoscorpionate Complexes AAC Braga, F Maseras, J Urbano, A Caballero, MM Diaz-Requejo, ... Organometallics 25 (22), 5292-5300, 2006 | 98 | 2006 |
| Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base:(E)-4-((2-hydroxy-3-methoxy-benzylidene … M Shahid, M Salim, M Khalid, MN Tahir, MU Khan, AAC Braga Journal of Molecular Structure 1161, 66-75, 2018 | 95 | 2018 |
