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Water Dissociation on Bimetallic Surfaces: General Trends
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
Water adsorption and dissociation on the Au(321) stepped surface
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
Unraveling the mechanism of the NO reduction by CO on gold based catalysts
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
The Role of Preadsorbed Atomic Hydrogen in the NO Dissociation on a Zigzag Stepped Gold Surface: A DFT Study
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra); Francesc Illas (Autor) (Outra)
Ionic and radical adsorption on the Au(hkl) surfaces: A DFT study
Ana M Pessoa (Autor) (Outra); Jose L C Fajin (Autor) (FCUP); Jose R B Gomes (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP)
Influence of step sites in the molecular mechanism of the water gas shift reaction catalyzed by copper
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Francesc Illas (Autor) (Outra); Jose R B Gomes (Autor) (Outra)
DFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atoms
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
DFT study on the reaction of NO oxidation on a stepped gold surface
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
DFT study on the NO oxidation on a flat gold surface model
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
DFT Study of the CO Oxidation on the Au(321) Surface
Jose L C Fajin (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
DFT study of the Au(321) surface reconstruction by consecutive deposition of oxygen atoms
Jose L C Fajin (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold Surfaces
Jose L C Fajin (Autor) (FCUP); Jose R B Gomes (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP)
Descriptors controlling the catalytic activity of metallic surfaces toward water splitting
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Francesc Illas (Autor) (Outra); Jose R B Gomes (Autor) (Outra)
Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles
Jose L C Fajin (Autor) (FCUP); Albert Bruix (Autor) (Outra); Maria Natalia D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra); Francesc Illas (Autor) (Outra)
Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces
Ana M Pessoa (Autor) (Outra); Jose L C Fajin (Autor) (FCUP); Jose R B Gomes (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP)
Adsorption of atomic and molecular oxygen on the au(321) surface: DFT study
Jose L C Fajin (Autor) (Outra); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)
A DFT study of the NO dissociation on gold surfaces doped with transition metals
Jose L C Fajin (Autor) (FCUP); Natalia N D S Cordeiro (Autor) (FCUP); Jose R B Gomes (Autor) (Outra)

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