Paulo E. Abreu
Paulo E. Abreu
Professor Auxiliar, University of Coimbra
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Rhodium/tris-binaphthyl chiral monophosphite complexes: Efficient catalysts for the hydroformylation of disubstituted aryl olefins
RMB Carrilho, ACB Neves, MAO Lourenço, AR Abreu, MTS Rosado, ...
Journal of Organometallic Chemistry 698, 28-34, 2012
NMR, DFT and luminescence studies of the complexation of Al (III) with 8-hydroxyquinoline-5-sulfonate
ML Ramos, LLG Justino, AIN Salvador, ARE de Sousa, PE Abreu, ...
Dalton Transactions 41 (40), 12478-12489, 2012
How different are two chemical structures?
JMC Marques, JL Llanio-Trujillo, PE Abreu, FB Pereira
Journal of Chemical information and Modeling 50 (12), 2129-2140, 2010
Conformational studies of poly (9, 9-dialkylfluorene) s in solution using NMR spectroscopy and density functional theory calculations
LLG Justino, ML Ramos, PE Abreu, RA Carvalho, AJFN Sobral, U Scherf, ...
The Journal of Physical Chemistry B 113 (35), 11808-11821, 2009
Ultrasound‐mediated synthesis of camphoric acid‐based chiral salens for the enantioselective trimethylsilylcyanation of aldehydes
MES Serra, D Murtinho, A Goth, AMDA Rocha Gonsalves, PE Abreu, ...
Chirality 22 (4), 425-431, 2010
A global optimization perspective on molecular clusters
JMC Marques, FB Pereira, JL Llanio-Trujillo, PE Abreu, M Albertí, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2017
Structural and electronic properties of poly (9, 9-dialkylfluorene)-based alternating copolymers in solution: An NMR spectroscopy and density functional theory study
LLG Justino, M Luísa Ramos, PE Abreu, A Charas, J Morgado, U Scherf, ...
The Journal of Physical Chemistry C 117 (35), 17969-17982, 2013
On the use of big‐bang method to generate low‐energy structures of atomic clusters modeled with pair potentials of different ranges
JMC Marques, A Pais, PE Abreu
Journal of Computational Chemistry 33 (4), 442-452, 2012
Structure dependence of hyperpolarizability in octopolar molecules
C Cardoso, PE Abreu, F Nogueira
Journal of Chemical Theory and Computation 5 (4), 850-858, 2009
Aggregation of cyclodextrins: Fundamental issues and applications
T Cova, SMA Cruz, AJM Valente, PE Abreu, JMC Marques, ACC Pais
Cyclodextrin Fundamentals, Reactivity and Analysis; Fourmentin, S., Crini, G …, 2018
Computational study of molecules with high intrinsic hyperpolarizabilities
C Cardoso, PE Abreu, BF Milne, F Nogueira
The Journal of Physical Chemistry A 114 (39), 10676-10683, 2010
Generation and characterization of low‐energy structures in atomic clusters
JMC Marques, A Pais, PE Abreu
Journal of computational chemistry 31 (7), 1495-1503, 2010
Stereoselective formation of tertiary and quaternary carbon centers via inverse conjugate addition of carbonucleophiles to allenic esters
AL Cardoso, AM Beja, MR Silva, JM de los Santos, F Palacios, PE Abreu, ...
Tetrahedron 66 (39), 7720-7725, 2010
Oxocomplexes of Mo (VI) and W (VI) with 8-hydroxyquinoline-5-sulfonate in solution: structural studies and the effect of the metal ion on the photophysical behaviour
ML Ramos, LLG Justino, PE Abreu, SM Fonseca, HD Burrows
Dalton Transactions 44 (44), 19076-19089, 2015
Transport Properties of Aqueous Solutions of (1R,2S)-(−)- and (1S,2R)-(+)-Ephedrine Hydrochloride at Different Temperatures
AJM Valente, ACF Ribeiro, JMC Marques, PE Abreu, VMM Lobo, ...
Journal of Chemical & Engineering Data 55 (3), 1145-1152, 2010
Differentiation of aminomethyl corrole isomers by mass spectrometry
CIV Ramos, M Graça Santana‐Marques, AJ Ferrer‐Correia, JFB Barata, ...
Journal of mass spectrometry 47 (4), 516-522, 2012
Calculation of diffusion coefficients of pesticides by employing molecular dynamics simulations
JRC Santos, PE Abreu, JMC Marques
Journal of Molecular Liquids 340, 117106, 2021
MRCI calculation, scaling of the external correlation, and modeling of potential energy curves for HCl and OCl
A Peña-Gallego, PE Abreu, AJC Varandas
The Journal of Physical Chemistry A 104 (26), 6241-6246, 2000
Quasi-ab initio dynamics: a test trajectory study of the H+ H2 reaction using energies and gradients based on scaling of the external correlation
AJC Varandas, PE Abreu
Chemical physics letters 293 (3-4), 261-269, 1998
Reduced chitosan as a strategy for removing copper ions from water
PMC Matias, JFM Sousa, EF Bernardino, JP Vareda, L Durães, PE Abreu, ...
Molecules 28 (10), 4110, 2023
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