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Ataualpa A. C. Braga
Ataualpa A. C. Braga
Professor Doutor, Departamento de Química Fundamental, Instituto de Química, Universidade de São
Verified email at iq.usp.br - Homepage
Title
Cited by
Cited by
Year
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
8062006
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
5542007
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
4542005
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
4352006
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
3772013
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
2082009
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
2042018
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
1932006
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
1722007
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
1512008
Descrições estruturais cristalinas de zeólitos
AAC Braga, NH Morgon
Química Nova 30, 178-188, 2007
1292007
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
1152019
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
1122019
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
1032019
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
1032017
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
1002006
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
992017
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
962021
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
952017
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
902007
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