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Publications with the same authors as the On the theoretical understanding of the unexpected O-2 activation by nanoporous gold publication

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Article in International Scientific Journal

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

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