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Ataualpa Albert Carmo Braga

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Universidade de São Paulo (USP). Instituto de Química (IQ)  (Institutional affiliation for the last research proposal)
Birthplace: Brazil

Bachelor`s degree in Chemistry from the University of Campinas (1998), licenciate`s degree in chemistry from the University of Campinas (2000), masters degree in chemistry from the University of Campinas (2000) and doctorate in chemistry from the University of Campinas (2004) . Between February 2005 and November 2010 he worked as a researcher at the "Institut Català d'Investigació Chemistry" (ICIQ) in Tarragona (Catalonia, Spain). From 2011 until July 2012 he served as collaborator professor and researcher at the University of Campinas. He is currently Professor Dr MS-3 in the Department of Fundamental Chemistry, University of Sao Paulo. He has experience in chemistry, with emphasis on theoretical chemistry, working mainly in the following areas: catalysis, organometallic chemistry and physical chemistry. (Source: Lattes Curriculum)

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FAPESP support in numbers * Updated February 22, 2020
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Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (34)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

Publications33
Citations271
Cit./Article8.2
Data from Web of Science

ANTONIO G. SAMPAIO DE OLIVEIRA FILHO; ANA PAULA DE LIMA BATISTA. ESPECTRO ELETRÔNICO DA MOLÉCULA I2: UMA BREVE INTRODUÇÃO À PROGRAMAÇÃO CIENTÍFICA. Química Nova, v. 39, n. 1, p. 118-122, . (13/22235-0)

DE OLIVEIRA, JULIANA MANSO; ANGNES, RICARDO ALMIR; KHAN, ISMAT ULLAH; POLO, ELLEN CHRISTINE; HEERDT, GABRIEL; SERVILHA, BRUNO M.; MENEZES DA SILVA, VITOR H.; BRAGA, ATAUALPA A. C.; DUARTE CORREIA, CARLOS ROQUE. Enantioselective, Noncovalent, Substrate-Directable Heck-Matsuda and Oxidative Heck Arylations of Unactivated Five-Membered Carbocyclic Olefins. CHEMISTRY-A EUROPEAN JOURNAL, v. 24, n. 45, p. 11738-11747, . Web of Science Citations: 11. (16/04963-6, 13/07600-3, 13/00544-0, 14/25770-6, 17/18207-1, 13/25849-9, 15/01491-3)

KHAN, MUHAMMAD USMAN; IBRAHIM, MUHAMMAD; KHALID, MUHAMMAD; CARMO BRAGA, ATAUALPA ALBERT; AHMED, SARFRAZ; SULTAN, AYESHA. Prediction of Second-Order Nonlinear Optical Properties of D--A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities. JOURNAL OF CLUSTER SCIENCE, v. 30, n. 2, p. 415-430, . Web of Science Citations: 8. (15/01491-3, 11/07895-8, 14/25770-6)

BUENO, MARCO A.; MOURA, REBECA G.; FRANCO, MAURICIO; BRAGA, ATAUALPA A. C.; DI VITTA, CLAUDIO; MARZORATI, LILIANA. A new piperazine: Spectroscopic and theoretical conformational studies. Journal of Molecular Structure, v. 1203, . Web of Science Citations: 0. (15/01491-3, 14/25770-6)

POLO, ELLEN CHRISTINE; WANG, MARTI FERNANDEZ; ANGNES, RICARDO ALMIR; BRAGA, ATAUALPA A. C.; DUARTE CORREIA, CARLOS ROQUE. Enantioselective Heck Arylation of Acyclic Alkenol Aryl Ethers: Synthetic Applications and DFT Investigation of the Stereoselectivity. ADVANCED SYNTHESIS & CATALYSIS, . Web of Science Citations: 0. (15/01491-3, 19/02052-4, 17/21494-2, 14/25770-6, 13/07600-3)

JAWARIA, RIFAT; HUSSAIN, MAZHAR; KHALID, MUHAMMAD; KHAN, MUHAMMAD USMAN; TAHIR, MUHAMMAD NAWAZ; NASEER, MUHAMMAD MOAZZAM; CARMO BRAGA, ATAUALPA ALBERT; SHAFIQ, ZAHID. Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: A DFT refine experimental study. Inorganica Chimica Acta, v. 486, p. 162-171, . Web of Science Citations: 10. (15/01491-3, 14/25770-6)

DE LIMA BATISTA, ANA PAULA; DE OLIVEIRA-FILHO, ANTONIO G. S.; BRAGA, ATAUALPA A. C.. Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study. NEW JOURNAL OF CHEMISTRY, v. 43, n. 31, p. 12257-12263, . Web of Science Citations: 0. (15/01491-3, 17/11631-2, 15/11714-0, 14/25770-6, 17/18238-4)

KHAN, MUHAMMAD USMAN; IQBAL, JAVED; KHALID, MUHAMMAD; HUSSAIN, RIAZ; CARMO BRAGA, ATAUALPA ALBERT; HUSSAIN, MUNAWAR; MUHAMMAD, SHABBIR. Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells. RSC ADVANCES, v. 9, n. 45, p. 26402-26418, . Web of Science Citations: 5. (15/01491-3, 11/07895-8, 14/25770-6)

LUCCHESE, ANGELICA M.; DI VITTA, CLAUDIO; VILCACHAGUA, JANAINA D.; NAKAGAWA, JULIANA M.; FRANCO, MAURICIO P.; BRAGA, ATAUALPA A. C.; MARZORATI, LILIANA. Conformation of some 2,4,6-trisubstitued pyridinium salts. Journal of Molecular Structure, v. 1149, p. 640-644, . Web of Science Citations: 0. (15/01491-3, 14/25770-6)

AHMAD, MUHAMMAD SAEED; KHALID, MUHAMMAD; SHAHEEN, MUHAMMAD ASHRAF; TAHIR, MUHAMMAD NAWAZ; KHAN, MUHAMMAD USMAN; BRAGA, ATAUALPA ALBERT CARMO; SHAD, HAZOOR AHMAD. Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, v. 115, p. 265-276, . Web of Science Citations: 16. (15/01491-3, 14/25770-6)

MENEZES DA SILVA, VITOR H.; DE LIMA BATISTA, ANA PAULA; NAVARRO, OSCAR; BRAGA, ATAUALPA A. C.. Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models. Journal of Computational Chemistry, v. 38, n. 28, p. 2371-2377, . Web of Science Citations: 4. (15/01491-3, 15/22203-6, 13/04813-6, 14/25770-6)

DE LIMA BATISTA, ANA P.; COELHO, FERNANDO; BRAGA, ATAUALPA A. C.. DFT exploration of mechanistic pathways of an aza-Morita-Baylis-Hillman reaction. THEORETICAL CHEMISTRY ACCOUNTS, v. 135, n. 8, . Web of Science Citations: 5. (15/01491-3, 13/10449-5, 13/22235-0, 13/07600-3)

DE LIMA BATISTA, ANA P.; BRAGA, ATAUALPA A. C.. Mor-Dalphos-Pd (II) oxidative addition complexes and related NH3 adducts: Insights into bonding and nonbonding interactions. Journal of Molecular Structure, v. 1120, p. 245-249, . Web of Science Citations: 1. (15/01491-3, 13/22235-0)

SILVA, JULIANA DE OLIVEIRA; ANGNES, RICARDO A.; MENEZES DA SILVA, VITOR H.; SERVILHA, BRUNO M.; ADEEL, MUHAMMAD; BRAGA, ATAUALPA A. C.; APONICK, AARON; CORREIA, CARLOS ROQUE D.. Intermolecular Noncovalent Hydroxy-Directed Enantioselective Heck Desymmetrization of Cyclopentenol: Computationally Driven Synthesis of Highly Functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, v. 81, n. 5, p. 2010-2018, . Web of Science Citations: 25. (13/07600-3, 13/00544-0, 13/04813-6, 15/01491-3, 11/23832-6)

LUCCHESE, ANGELICA M.; DI VITTA, CLAUDIO; VILCACHAGUA, JANAINA D.; NAKAGAWA, JULIANA M.; FRANCO, MAURICIO P.; BRAGA, ATAUALPA A. C.; MARZORATI, LILIANA. Conformation of some 2,4,6-trisubstitued pyridinium salts. Journal of Molecular Structure, v. 1149, p. 640-644, . Web of Science Citations: 0. (15/01491-3, 14/25770-6)

NASEEM, SAIRA; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; HALIM, MOHAMMAD A.; BRAGA, ATAUALPA A. C.; NASEER, MUHAMMAD MOAZZAM; SHAFIQ, ZAHID. Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand. Journal of Molecular Structure, v. 1143, p. 235-244, . Web of Science Citations: 23. (15/01491-3, 14/25770-6)

ANSELL, MELVYN B.; DA SILVA, VITOR H. MENEZES; HEERDT, GABRIEL; BRAGA, ATAUALPA A. C.; SPENCER, JOHN; NAVARRO, OSCAR. An experimental and theoretical study into the facile, homogenous (N-heterocyclic carbene)(2)-Pd(0) catalyzed diboration of internal and terminal alkynes. CATALYSIS SCIENCE & TECHNOLOGY, v. 6, n. 20, p. 7461-7467, . Web of Science Citations: 11. (15/01491-3, 15/11840-5, 13/04813-6)

VASCONCELOS, STANLEY N. S.; MENEZES DA SILVA, VITOR H.; BRAGA, ATAUALPA A. C.; SHAMIM, ANWAR; SOUZA, FREDERICO B.; PIMENTA, DANIEL C.; STEFANI, HELIO A.. 3-Alkenyltyrosines Accessed by Suzuki-Miyaura Coupling: A Key Intermediate in the Synthesis and Mechanistic Study of Povarov Multicomponent Reactions. ASIAN JOURNAL OF ORGANIC CHEMISTRY, v. 6, n. 7, p. 913-920, . Web of Science Citations: 3. (15/01491-3, 12/00424-2, 13/04813-6, 13/17960-7, 15/11840-5)

KHALID, MUHAMMAD; ULLAH, MALIK AMAN; ADEEL, MUHAMMAD; KHAN, MUHAMMAD USMAN; TAHIR, UHAMMAD NAWAZ; CARMO BRAGA, ATAUALPA ALBERT. Synthesis, crystal structure analysis, spectral IR, UV-Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study. JOURNAL OF SAUDI CHEMICAL SOCIETY, v. 23, n. 5, p. 546-560, . Web of Science Citations: 11. (15/01491-3, 14/25770-6)

MENEZES DA SILVA, VITOR H.; MORGON, NELSON H.; CORREIA, CARLOS R. D.; BRAGA, ATAUALPA A. C.. DFT perspective on the selectivity and mechanism of ligand-free Heck reaction involving allylic esters and arenediazonium salts. JOURNAL OF ORGANOMETALLIC CHEMISTRY, v. 896, p. 5-15, . Web of Science Citations: 1. (15/01491-3, 13/04813-6, 17/18207-1, 14/25770-6, 11/07895-8)

SILVA, JULIANA DE OLIVEIRA; ANGNES, RICARDO A.; MENEZES DA SILVA, VITOR H.; SERVILHA, BRUNO M.; ADEEL, MUHAMMAD; BRAGA, ATAUALPA A. C.; APONICK, AARON; CORREIA, CARLOS ROQUE D.. Intermolecular Noncovalent Hydroxy-Directed Enantioselective Heck Desymmetrization of Cyclopentenol: Computationally Driven Synthesis of Highly Functionalized cis-4-Arylcyclopentenol Scaffolds. Journal of Organic Chemistry, v. 81, n. 5, p. 2010-2018, . Web of Science Citations: 25. (13/07600-3, 13/00544-0, 13/04813-6, 15/01491-3, 11/23832-6)

ASHRAF, ABIDA; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; YAQUB, MUHAMMAD; NASEER, MUHAMMAD MOAZZAM; KAMAL, GHULAM MUSTAFA; SAIFULLAH, BULLO; BRAGA, ATAUALPA ALBERT CARMO; SHAFIQ, ZAHID; RAUF, WAQAR. A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration. RSC ADVANCES, v. 9, n. 59, p. 34567-34580, . Web of Science Citations: 0. (15/01491-3, 11/07895-8, 14/25770-6)

SHAHID, MUHAMMAD; SALIM, MUHAMMAD; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; KHAN, MUHAMMAD USMAN; CARMO BRAGA, ATAUALPA ALBERT. Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy-benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide. Journal of Molecular Structure, v. 1161, p. 66-75, . Web of Science Citations: 20. (15/01491-3, 14/25770-6)

RAFIQ, MUHAMMAD; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; AHMAD, MUHAMMAD UMAIR; KHAN, MUHAMMAD USMAN; NASEER, MUHAMMAD MOAZZAM; CARMO BRAGA, ATAUALPA ALBERT; MUHAMMAD, SHABBIR; SHAFIQ, ZAHID. Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones: A synergistic experimental-computational analysis. Applied Organometallic Chemistry, v. 33, n. 11, . Web of Science Citations: 3. (15/01491-3, 11/07895-8, 14/25770-6)

ARSHAD, MUHAMMAD NADEEM; AL-DIES, AL-ANOOD M.; ASIRI, ABDULLAH M.; KHALID, MUHAMMAD; BIRINJI, ABDULHADI SALIH; AL-AMRY, KHALID A.; BRAGA, ATAUALPA A. C.. Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study. Journal of Molecular Structure, v. 1141, p. 142-156, . Web of Science Citations: 31. (15/01491-3, 14/25770-6)

DA SILVA, MARIA ROSANA E.; AUVRAY, THOMAS; LARAMEE-MILETTE, BAPTISTE; FRANCO, MAURICIO P.; BRAGA, ATAUALPA A. C.; TOMA, HENRIQUE E.; HANAN, GARRY S.. Unusual Photooxidation of S-Bonded Mercaptopyridine in a Mixed Ligand Ruthenium(II) Complex with Terpyridine and Bipyridine Ligands. Inorganic Chemistry, v. 57, n. 9, p. 4898-4905, . Web of Science Citations: 4. (15/01491-3, 14/25770-6, 13/24725-4)

DE LIMA BATISTA, ANA P.; ZAHARIEV, FEDERICO; SLOWING, IGOR I.; BRAGA, ATAUALPA A. C.; ORNELLAS, FERNANDO R.; GORDON, MARK S.. Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods. Journal of Physical Chemistry B, v. 120, n. 8, p. 1660-1669, . Web of Science Citations: 6. (13/22235-0)

MENEZES DA SILVA, VITOR H.; SILVA, JR., LUIZ F.; BRAGA, ATAUALPA A. C.. Iodine(III)-Mediated Ring Contraction of 1,2-Dihydronaphthalenes: Mechanistic Insight by Computational Investigations. CHEMISTRYSELECT, v. 1, n. 11, p. 2706-2711, . Web of Science Citations: 2. (15/01491-3, 13/04813-6)

HO, NGA KIM T.; NEUMANN, BEATE; STAMMLER, HANS-GEORG; MENEZES DA SILVA, VITOR H.; WATANABE, DANIEL G.; BRAGA, ATAUALPA A. C.; GHADWAL, RAJENDRA S.. Nickel-catalysed direct C2-arylation of N-heterocyclic carbenes. DALTON TRANSACTIONS, v. 46, n. 36, p. 12027-12031, . Web of Science Citations: 11. (15/01491-3, 14/25770-6)

MENEZES DA SIVA, VITOR H.; BRAGA, ATAUALPA A. C.; CUNDARI, THOMAS R.. N-Heterocyclic Carbene Based Nickel and Palladium Complexes: A DFT Comparison of the Mizoroki-Heck Catalytic Cycles. Organometallics, v. 35, n. 18, p. 3170-3181, . Web of Science Citations: 14. (15/01491-3, 15/11840-5, 13/04813-6)

MENEZES DA SILVA, VITOR H.; MONEZI, NATALIA M.; ANDO, ROMULO A.; BRAGA, ATAUALPA A. C.. New insights into the electrophilic aromatic substitution mechanism of tricyanovinylation reaction involving tetracyanoethylene and N,N-dimethylaniline: An interpretation based on density functional theory calculations. Journal of Molecular Structure, v. 1142, p. 58-65, . Web of Science Citations: 0. (15/01491-3, 15/11840-5, 13/04813-6, 14/25770-6)

SUMRRA, SAJJAD HUSSAIN; ATIF, AFTAB HUSSAIN; ZAFAR, MUHAMMAD NAVEED; KHALID, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; NAZAR, MUHAMMAD FAIZAN; NADEEM, MUHAMMAD ARIF; BRAGA, ATAUALPA A. C.. Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes. Journal of Molecular Structure, v. 1166, p. 110-120, . Web of Science Citations: 7. (15/01491-3, 14/25770-6)

TARIQ, SOBIA; RAZA, ABDUL RAUF; KHALID, MUHAMMAD; RUBAB, SYEDA LAILA; KHAN, MUHAMMAD USMAN; ALI, AKBAR; TAHIR, MUHAMMAD NAWAZ; BRAGA, ATAUALPA ALBERT CARMO. Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies. Journal of Molecular Structure, v. 1203, . Web of Science Citations: 0. (15/01491-3, 11/07895-8, 14/25770-6)

COUTO, ROSA A. S.; COSTA, SEFORA S.; MOUNSSEF JR, BASSIM; PACHECO, JOAO G.; FERNANDES, EDUARDA; CARVALHO, FELIX; RODRIGUES, CECILIA M. P.; DELERUE-MATOS, CRISTINA; BRAGA, ATAUALPA A. C.; GONCALVES, LUIS MOREIRA; et al. Electrochemical sensing of ecstasy with electropolymerized molecularly imprinted poly(o-phenylenediamine) polymer on the surface of disposable screen-printed carbon electrodes. SENSORS AND ACTUATORS B-CHEMICAL, v. 290, p. 378-386, . Web of Science Citations: 2. (15/01491-3, 14/25770-6, 18/14425-7)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

BRAGA, Ataualpa Albert Carmo. Estudos teoricos da sintese da (-) - monatina e de reações de acoplamento-cruzado de Suzuki-Miyaura. 2004. Dissertação (Mestrado) - Instituto de Quimica. Universidade Estadual de Campinas (UNICAMP).

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