Browsing by Author Fajin, Jose L. C.
Showing results 1 to 10 of 10
| Issue Date | Title | Author(s) | Type | Access Type |
| 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 |  |
| 2013 | DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold Surfaces | Fajin, Jose L. C.; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S. | 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 |  |
| 2013 | DFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atoms | Fajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Gomes, Jose R. B. | 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 | |
| 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 | |
| 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 | |
| 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 | |