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2013
Toward the discovery of inhibitors of babesipain-1, a Babesia bigemina cysteine protease: in vitro evaluation, homology modeling and molecular docking studies
Perez, Bianca
;
Antunes, Sandra
;
Goncalves, Lidia M.
;
Domingos, Ana
;
Gomes, Jose R. B.
;
Gomes, Paula
;
Teixeira, Catia
article
2013
A DFT study of the NO dissociation on gold surfaces doped with transition metals
Fajin, Jose L. C.
;
Cordeiro, M. Natalia D. S.
;
Gomes, Jose R. B.
article
2014
Evidence for the Interactions Occurring Between Ionic Liquids and Tetraethylene Glycol in Binary Mixtures and Aqueous Biphasic Systems
Tome, Luciana I. N.
;
Pereira, Jorge F. B.
;
Rogers, Robin D.
;
Freire, Mara G.
;
Gomes, Jose R. B.
;
Coutinho, Joao A. P.
article
2016
Methanol dissociation on bimetallic surfaces: validity of the general Bronsted-Evans-Polanyi relationship for O-H bond cleavage
Fajin, Jose L. C.
;
Cordeiro, M. Natalia D. S.
;
Gomes, Jose R. B.
article
2016
Molecular dynamics simulation of diffusion coefficients and structural properties of ketones in supercritical CO2 at infinite dilution
Vaz, Raquel V.
;
Gomes, Jose R. B.
;
Silva, Carlos M.
article
2016
Effect of the Exchange-Correlation Potential on the Transferability of Bronsted-Evans-Polanyi Relationships in Heterogeneous Catalysis
Fajin, Jose L. C.
;
Vines, Francesc
;
Cordeiro, M. Natalia D. S.
;
Illas, Francesc
;
Gomes, Jose R. B.
article
2014
Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites
Jorge, Miguel
;
Fischer, Michael
;
Gomes, Jose R. B.
;
Siquet, Christophe
;
Santos, Joao C.
;
Rodrigues, Alirio E.
article
2015
Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations?
Fajin, Jose L. C.
;
Cordeiro, M. Natalia D. S.
;
Gomes, Jose R. B.
article
2015
Turning periodic mesoporous organosilicas selective to CO2/CH4 separation: deposition of aluminium oxide by atomic layer deposition
Lourenco, Mirtha A. O.
;
Silva, Ricardo M.
;
Silva, Rui F.
;
Pinna, Nicola
;
Pronier, Stephane
;
Pires, Joao
;
Gomes, Jose R. B.
;
Pintof, Moises L.
;
Ferreira, Paula
article
2014
Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
Fajin, Jose L. C.
;
Cordeiro, M. Natalia D. S.
;
Gomes, Jose R. B.
article
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TOTAL-ENERGY CALCULATIONS
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