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Ataualpa A. C. Braga

Ataualpa A. C. Braga

D-Index & Metrics

Chemistry

D-Index
51
Citations
9099
World Ranking
13967
National Ranking
109

Overview

Ataualpa A. C. Braga is affiliated with the Universidade de São Paulo in Brazil and has contributed extensively to the fields of chemistry and materials science. Their research portfolio encompasses 177 publications in chemistry and 170 in materials science, with a strong focus on organic chemistry and related subfields.

Their work encompasses significant investigation across various subfields such as:

  • Organic Chemistry
  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Electrical and Electronic Engineering
  • Polymers and Plastics

Main topics explored in their research include:

  • Nonlinear Optical Materials Research
  • Organic Electronics and Photovoltaics
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Synthesis and biological activity
  • Conducting polymers and applications
  • Nonlinear Optical Materials Studies

The frequent publication venues reflect the scope and focus of their research:

  • The Cambridge Structural Database (29 publications)
  • Journal of Molecular Structure (20 publications)
  • RSC Advances (15 publications)
  • Scientific Reports (13 publications)
  • ACS Omega (9 publications)

Among recent publications authored or coauthored by Ataualpa A. C. Braga are:

  • "Molecular designing of high-performance 3D star-shaped electron acceptors containing a truxene core for nonfullerene organic solar cells," 2020, Journal of Physical Organic Chemistry
  • "Efficient Synthesis, SC-XRD, and Theoretical Studies of O-Benzenesulfonylated Pyrimidines: Role of Noncovalent Interaction Influence in Their Supramolecular Network," 2020, ACS Omega
  • "Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation," 2021, Journal of Saudi Chemical Society
  • "Structural modulation of π-conjugated linkers in D-π-A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties," 2021, Royal Society Open Science
  • "Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells," 2021, Scientific Reports

Collaborative work is a noted aspect of their research, with frequent coauthors including:

  • Muhammad Khalid (98 joint publications)
  • Muhammad Nawaz Tahir (37 joint publications)
  • Muhammad Usman Khan (35 joint publications)
  • Iqra Shafiq (29 joint publications)
  • Muhammad Imran (29 joint publications)

Best Publications

  • Proton abstraction mechanism for the palladium-catalyzed intramolecular arylation.

    Domingo García-Cuadrado;Ataualpa A. C. Braga;Feliu Maseras, ,† and;Antonio M. Echavarren

  • Proton-abstraction mechanism in the palladium-catalyzed intramolecular arylation: substituent effects.

    Domingo García-Cuadrado;Paula de Mendoza;Ataualpa A. C. Braga;Feliu Maseras, ,† and

  • A DFT Study of the Full Catalytic Cycle of the Suzuki−Miyaura Cross-Coupling on a Model System

    Ataualpa A. C. Braga;Gregori Ujaque;Feliu Maseras

  • Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction.

    Ataualpa A C Braga;Nelson H Morgon;Gregori Ujaque;Feliu Maseras

  • Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms

    Max García-Melchor;Ataualpa A. C. Braga;Agustí Lledós;Gregori Ujaque

  • First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers

    Muhammad Usman Khan;Muhammad Khalid;Muhammad Ibrahim;Ataualpa Albert Carmo Braga

  • C-C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment.

    Martín Pérez-Rodríguez;Ataualpa A. C. Braga;Max Garcia-Melchor;Mónica H. Pérez-Temprano

  • Computational study of the transmetalation process in the Suzuki–Miyaura cross-coupling of aryls

    Ataualpa A.C. Braga;Nelson H. Morgon;Gregori Ujaque;Agustí Lledós

  • A Valuable, Inexpensive CuI/N-Heterocyclic Carbene Catalyst for the Selective Diboration of Styrene

    Vanesa Lillo;Manuel R. Fructos;Jesús Ramírez;Ataualpa A. C. Braga

  • Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells

    Muhammad Usman Khan;Javed Iqbal;Muhammad Khalid;Riaz Hussain

  • Bidentate phosphines as ligands in the palladium-catalyzed intramolecular arylation: the intermolecular base-assisted proton abstraction mechanism

    Sergio Pascual;Paula de Mendoza;Ataualpa A.C. Braga;Feliu Maseras

  • Prediction of Second-Order Nonlinear Optical Properties of D–π–A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities

    Muhammad Usman Khan;Muhammad Ibrahim;Muhammad Khalid;Ataualpa Albert Carmo Braga

  • 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

    Muhammad Khalid;Malik Aman Ullah;Muhammad Adeel;Muhammad Usman Khan

  • Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study

    Muhammad Nadeem Arshad;Al-Anood M. Al-Dies;Abdullah M. Asiri;Muhammad Khalid

  • 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

    Muhammad Shahid;Muhammad Salim;Muhammad Khalid;Muhammad Nawaz Tahir

  • Descrições estruturais cristalinas de zeólitos

    Ataualpa A. C. Braga;Nelson H. Morgon

  • Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

    Muhammad Nawaz Tahir;Muhammad Khalid;Muhammad Khalid;Ayesha Islam;Syed Muddassir Ali Mashhadi

  • Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand

    Saira Naseem;Muhammad Khalid;Muhammad Nawaz Tahir;Mohammad A. Halim

  • Molecular designing of high-performance 3D star-shaped electron acceptors containing a truxene core for nonfullerene organic solar cells

    Muhammad Usman Khan;Muhammad Usman Khan;Muhammad Yasir Mehboob;Riaz Hussain;Rafia Fatima

  • Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis

    Muhammad Saeed Ahmad;Muhammad Khalid;Muhammad Ashraf Shaheen;Muhammad Nawaz Tahir

  • Mechanism of alkane C-H bond activation by copper and silver homoscorpionate complexes

    Ataualpa A. C. Braga;Feliu Maseras;Juan Urbano;Ana Caballero

  • Brønsted acid catalyzed Morita-Baylis-Hillman reaction: a new mechanistic view for thioureas revealed by ESI-MS(/MS) monitoring and DFT calculations.

    Giovanni W. Amarante;Mario Benassi;Humberto M. S. Milagre;Humberto M. S. Milagre;Ataualpa A. C. Braga

Frequent Co-Authors

Muhammad Usman Khan
Muhammad Usman Khan University of Okara
Feliu Maseras
Feliu Maseras Institut Català d'Investigació Química
Muhammad Khalid
Muhammad Khalid Constructor University
Gregori Ujaque
Gregori Ujaque Autonomous University of Barcelona
Pedro J. Pérez
Pedro J. Pérez University of Huelva
Antonio M. Echavarren
Antonio M. Echavarren Institut Català d'Investigació Química
M. Mar Díaz-Requejo
M. Mar Díaz-Requejo University of Huelva
Shabbir Muhammad
Shabbir Muhammad King Khalid University
Abdullah M. Asiri
Abdullah M. Asiri King Abdulaziz University
Cecília M. P. Rodrigues
Cecília M. P. Rodrigues University of Lisbon

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