Paulo E. Abreu
University of Coimbra
32 Papers
222 Citations
Paulo E. Abreu is an academic researcher from University of Coimbra. The author has contributed to research in topics: Chemistry & Potential energy surface. The author has an hindex of 11, co-authored 28 publications. Previous affiliations of Paulo E. Abreu include University of Wuppertal & Instituto Superior de Engenharia de Coimbra.
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Papers
Rhodium/tris-binaphthyl chiral monophosphite complexes: Efficient catalysts for the hydroformylation of disubstituted aryl olefins
Rui M. B. Carrilho,Angela C. B. Neves,Mirtha A.O. Lourenço,Artur R. Abreu,Artur R. Abreu,Mário T. S. Rosado,Paulo E. Abreu,M. Ermelinda S. Eusébio,László Kollár,J. Carles Bayón,Mariette M. Pereira +10 more
TL;DR: In this article, a family of threefold symmetry phosphite ligands derived from enantiomerically pure (R )-BINOL was developed, which showed remarkable catalytic activity in the hydroformylation of hindered phenylpropenes, under relatively mild reaction conditions.
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How Different Are Two Chemical Structures
TL;DR: This work extends the scope of a recent method for superimposing two molecules to include the identification of chiral structures and showcases the application of those methods to characterize the diversity of solutions in global geometry optimization by evolutionary algorithms.
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NMR, DFT and luminescence studies of the complexation of Al(III) with 8-hydroxyquinoline-5-sulfonate
M. Luísa Ramos,Licínia L. G. Justino,Andreia I. N. Salvador,Andreia R. E. de Sousa,Paulo E. Abreu,Sofia M. Fonseca,Hugh D. Burrows +6 more
TL;DR: There are marked changes in the absorption spectra, which support the use of 8-HQS as a sensitive optical sensor to detect Al(3+) metal ions in surface waters and biological fluids and show potential for applications in organic light emitting diodes (OLEDs).
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Conformational studies of poly(9,9-dialkylfluorene)s in solution using NMR spectroscopy and density functional theory calculations.
Licínia L. G. Justino,M. Luísa Ramos,Paulo E. Abreu,Rui A. Carvalho,Abilio J.F.N. Sobral,Ullrich Scherf,Hugh D. Burrows +6 more
TL;DR: The correlations provide a model for NMR spectral data interpretation and the basis for analysis of conformational changes in poly(9,9-dialkylfluorene-2,7-diyl)s and are found to be present and influence all of the alkylic and one of the aromatic (1)H resonances (Hb).
On the use of big-bang method to generate low-energy structures of atomic clusters modeled with pair potentials of different ranges.
TL;DR: The efficiency of the so‐called big‐bang method for the optimization of atomic clusters is analysed in detail for Morse pair potentials with different ranges, including the putative global minimum as a function of the potential range and the cluster size.
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