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List of works by Ataualpa A.C. Braga

A valuable, inexpensive Cui/n-heterocyclic carbene catalyst for the selective diboration of styrene

scientific article published on 01 January 2007

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

scientific article published in November 2009

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

scientific article published on 01 June 2005

Computational perspective on Pd-catalyzed C-C cross-coupling reaction mechanisms.

scientific article published on 12 July 2013

Do Double-Hybrid Exchange–Correlation Functionals Provide Accurate Chemical Shifts? A Benchmark Assessment for Proton NMR

scientific article published on 14 October 2021

Enantioselective, Noncovalent, Substrate-Directable Heck-Matsuda and Oxidative Heck Arylations of Unactivated Five-Membered Carbocyclic Olefins

scientific article published on 12 July 2018

Intermolecular Noncovalent Hydroxy-Directed Enantioselective Heck Desymmetrization of Cyclopentenol: Computationally Driven Synthesis of Highly Functionalized cis-4-Arylcyclopentenol Scaffolds

scientific article published on 16 February 2016

Nickel-catalysed direct C2-arylation of N-heterocyclic carbenes.

scientific article

Proton abstraction mechanism for the palladium-catalyzed intramolecular arylation.

scientific article published in February 2006

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

scientific article published on 27 April 2007

Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods

scientific article published on 28 December 2015

Spectroscopic evidence for a preferential location of lidocaine inside phospholipid bilayers.

scientific article

Stability Study of Hypervalent Tellurium Compounds in Aqueous Solutions

scientific article published on 10 August 2017

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

scholarly article by Muhammad Nadeem Arshad et al published August 2017 in Journal of Molecular Structure

Synthesis, spectral characterization and computed optical analysis of potent triazole based compounds.

scientific article published on 13 September 2017

Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses

scientific article published on 16 May 2018

The role of cyclobutenes in gold(I)-catalysed skeletal rearrangement of 1,6-enynes

scientific article published on 31 May 2012

Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed mizoroki-heck reactions: Exploring density functionals methods and molecular models.

scientific article

Unusual Photooxidation of S-Bonded Mercaptopyridine in a Mixed Ligand Ruthenium(II) Complex with Terpyridine and Bipyridine Ligands

scientific article published on 9 April 2018

Vinyl acetate synthesis on homogeneous and heterogeneous Pd-based catalysts: a theoretical analysis on the reaction mechanisms.

scientific article published in October 2009

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