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 Garcia-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
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
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, 178-188, 2007
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
Proton-abstraction mechanism in the palladium-catalyzed intramolecular arylation: substituent effects
D Garica-Cuadrado, P De Mendoza, AAC Braga, F Maseras, ...
J. Am. Chem. Soc 129, 6880-6886, 2007
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
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
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
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
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
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
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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