Browsing by Author Cordeiro, M. Natalia D. S.

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Showing results 1 to 11 of 11
Issue DateTitleAuthor(s)TypeAccess Type
2014Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General TrendsFajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Gomes, Jose R. B.articlerestrictedAccess
2013DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold SurfacesFajin, Jose L. C.; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S.articlerestrictedAccess
2013A DFT study of the NO dissociation on gold surfaces doped with transition metalsFajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Gomes, Jose R. B.articleopenAccess
2013DFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atomsFajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Gomes, Jose R. B.articlerestrictedAccess
2016Effect of the Exchange-Correlation Potential on the Transferability of Bronsted-Evans-Polanyi Relationships in Heterogeneous CatalysisFajin, Jose L. C.; Vines, Francesc; Cordeiro, M. Natalia D. S.; Illas, Francesc; Gomes, Jose R. B.articlerestrictedAccess
2015Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on goldFajin, Jose L. C.; Teixeira, Filipe; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S.articlerestrictedAccess
2015Fischer-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.articleopenAccess
2014Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfacesFajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Illas, Francesc; Gomes, Jose R. B.articlerestrictedAccess
2015Mechanistic Study of Carbon Monoxide Methanation over Pure and Rhodium- or Ruthenium-Doped Nickel CatalystsFajin, Jose L. C.; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S.articlerestrictedAccess
2016Methanol dissociation on bimetallic surfaces: validity of the general Bronsted-Evans-Polanyi relationship for O-H bond cleavageFajin, Jose L. C.; Cordeiro, M. Natalia D. S.; Gomes, Jose R. B.articleopenAccess
2016Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica OligomersPerez-Sanchez, German; Chien, Szu-Chia; Gomes, Jose R. B.; Cordeiro, M. Natalia D. S.; Auerbach, Scott M.; Monson, Peter A.; Jorge, MiguelarticlerestrictedAccess