Showing results 13 to 32 of 46
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| Issue Date | Title | Author(s) | Type | Access Type |
| 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 |  |
| 2015 | Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold | Fajin, Jose L. C.; Teixeira, Filipe; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S. | article | |
| 2013 | ENERGETIC AND STRUCTURAL EFFECTS ON OXYGEN OR SULFUR HETEROPOLYCYCLIC COMPOUNDS | Freitas, Vera L. S.; Ribeiro da Silva, Maria D. M. C.; Gomes, Jose R. B. | article |  |
| 2014 | Energetics and Reactivity of Morpholine and Thiomorpholine: A Joint Experimental and Computational Study | Freitas, Vera L. S.; Gomes, Jose R. B.; Ribeiro da Silva, Maria D. M. C. | article | |
| 2015 | Evaluation of the GROMOS 56A(CARBO) Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems | Batista, Marta L. S.; Perez-Sanchez, German; Gomes, Jose R. B.; Coutinho, Joao A. P.; Maginn, Edward J. | 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 | |
| 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 | |
| 2014 | Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces | Fajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Illas, Francesc; Gomes, Jose R. B. | article | |
| 2016 | Insights into CO2 and CH4 Adsorption by Pristine and Aromatic Amine-Modified Periodic Mesoporous Phenylene-Silicas | Lourenco, Mirtha A. O.; Siquet, Christophe; Santos, Joao; Jorge, Miguel; Gomes, Jose R. B.; Ferreira, Paula | article | |
| 2014 | Interaction of atmospheric gases with ETS-10: A DFT study | Pillai, Renjith S.; Jorge, Miguel; Gomes, Jose R. B. | article | |
| 2014 | Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study | Gomes, Jose R. B.; Jorge, Miguel; Gomes, Paula | article | |
| 2016 | Interaction of CO2 and CH4 with Functionalized Periodic Mesoporous Phenylene-Silica: Periodic DFT Calculations and Gas Adsorption Measurements | Lourenco, Mirtha A. O.; Siquet, Christophe; Sardo, Mariana; Mafra, Luis; Pires, Joao; Jorge, Miguel; Pinto, Moises L.; Ferreira, Paula; Gomes, Jose R. B. | article | |
| 2015 | Mechanistic Study of Carbon Monoxide Methanation over Pure and Rhodium- or Ruthenium-Doped Nickel Catalysts | Fajin, Jose L. C.; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S. | 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 | |
| 2013 | Modeling Self-Assembly of Silica/Surfactant Mesostructures in the Templated Synthesis of Nanoporous Solids | Perez-Sanchez, German; Gomes, Jose R. B.; Jorge, Miguel | 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 | |
| 2014 | Molecular Simulation of the Adsorption of Methane in Engelhard Titanosilicate Frameworks | Pillai, Renjith S.; Gomes, Jose R. B.; Jorge, Miguel | article | |
| 2013 | N-Cinnamoylated Chloroquine Analogues as Dual-Stage Antimalarial Leads | Perez, Bianca C.; Teixeira, Catia; Albuquerque, Ines S.; Gut, Jiri; Rosenthal, Philip J.; Gomes, Jose R. B.; Prudencio, Miguel; Gomes, Paula | article | |
| 2015 | Optimization of the time and temperature of the microwave-assisted amination of phenylene-PMO | Lourenco, Mirtha A. O.; Gomes, Jose R. B.; Ferreira, Paula | article | |
| 2014 | \"Recycling\" Classical Drugs for Malaria | Teixeira, Catia; Vale, Nuno; Perez, Bianca; Gomes, Ana; Gomes, Jose R. B.; Gomes, Paula | article | |