Ataualpa A. C. Braga
Ataualpa A. C. Braga
Professor Doutor, Departamento de Química Fundamental, Instituto de Química, Universidade de São
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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
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
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
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
Computational perspective on Pd-catalyzed C–C cross-coupling reaction mechanisms
M García-Melchor, AAC Braga, A Lledós, G Ujaque, F Maseras
Accounts of chemical research 46 (11), 2626-2634, 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
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
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
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
Descrições estruturais cristalinas de zeólitos
AAC Braga, NH Morgon
Química Nova 30 (1), 178-188, 2007
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
Brønsted Acid Catalyzed Morita–Baylis–Hillman Reaction: A New Mechanistic View for Thioureas Revealed by ESI‐MS (/MS) Monitoring and DFT Calculations
GW Amarante, M Benassi, HMS Milagre, AAC Braga, F Maseras, ...
Chemistry–A European Journal 15 (45), 12460-12469, 2009
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
Mechanistic insights into the transmetalation step of a Suzuki–Miyaura reaction of 2 (4)-bromopyridines: characterization of an intermediate
C Sicre, AAC Braga, F Maseras, MM Cid
Tetrahedron 64 (30-31), 7437-7443, 2008
Spectroscopic evidence for a preferential location of lidocaine inside phospholipid bilayers
LF Fraceto, LMA Pinto, L Franzoni, AAC Braga, A Spisni, S Schreier, ...
Biophysical chemistry 99 (3), 229-243, 2002
The role of cyclobutenes in gold (I)-catalysed skeletal rearrangement of 1, 6-enynes
A Escribano-Cuesta, P Pérez-Galán, E Herrero-Gómez, M Sekine, ...
Organic & biomolecular chemistry 10 (30), 6105-6111, 2012
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
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
The importance of conformational search: a test case on the catalytic cycle of the Suzuki–Miyaura cross-coupling
M Besora, AAC Braga, G Ujaque, F Maseras, A Lledós
Theoretical Chemistry Accounts 128 (4), 639-646, 2011
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
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