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Ab initio study of CO adsorption on PdGa(110)
P. Bechthold, P.V. Jasen, J.S. Ardenghi, E.A. González, A. Juan
Computational Materials Science , 71 , 192-196 • 2013
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Benzene adsorption on PtCo(111): A DFT study
P. Bechthold, S. Ardenghi, V. Cardoso Schwindt, E.A. González, P.V. Jasen, V. Orazi, M.E. Pronsato, A. Juan
Applied Surface Science , 282 , 17-24 • 2013
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Mn-Doped CeO2: DFT+U Study of a Catalyst for Oxidation Reactions
Delfina García Pintos, Alfredo Juan, Beatriz Irigoyen
The Journal of Physical Chemistry C , 117 (35) , 18063-18073 • 2013
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On the perfect MgH2(–Nb,–Zr) systems and the influence of vacancy-like defects on their structural properties. A self-consistent first principle calculations study of the electron and positron parameters
C.R. Luna, E. Germán, C. Macchi, A. Juan, A. Somoza
Journal of Alloys and Compounds , 556 , 188-197 • 2013
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The Effect of Metal–Cation Vacancies on Vanadium Antimonate Surface Properties. A Theoretical Study
Hernán Seitz, Alfredo Juan, Graciela Brizuela, Beatriz Irigoyen
The Journal of Physical Chemistry C , 117 (40) , 20548-20556 • 2013
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THE OBSERVABLE-STATE MODEL AND NONRENORMALIZABLE THEORIES
JUAN SEBASTIÁN ARDENGHI, ALFREDO JUAN, MARIO CASTAGNINO
International Journal of Modern Physics A , 28 (07) , 1350016 • 2013
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Vacancy clustering in pure metals: some first principle calculations of positron lifetimes and momentum distributions
C R Luna, C Macchi, A Juan, A Somoza
Journal of Physics: Conference Series , 443 , 012019 • 2013
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Adsorption of ammonia on vanadium–antimony mixed oxides
Hernan Seitz, Estefanía Germán, Alfredo Juan, Beatriz Irigoyen
Applied Surface Science , 258 (8) , 3617-3623 • 2012
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Carbon monoxide adsorption on a nickel iron surface: bonding and electronic structure computational study
G. Canto, L. Dzib, C. Lanz, A. Juan, G. Brizuela, S. Simonetti
Molecular Physics , 110 (2) , 113-120 • 2012
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Computational study of cis-oleic acid adsorption on Ni(1 1 1) surface
S. Simonetti, S. Ulacco, G. Brizuela, A. Juan
Applied Surface Science , 258 (15) , 5903-5908 • 2012