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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
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DFT study of H2 adsorption on Pd-decorated single walled carbon nanotubes with C-vacancies
Ignacio López-Corral, Jorge de Celis, Alfredo Juan, Beatriz Irigoyen
International Journal of Hydrogen Energy , 37 (13) , 10156-10164 • 2012
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Density functional and bonding study of hydrogen and platinum adsorption on B2-FeTi (111) slab
E. González, P. Jasen, J.M. Marchetti, G. Brizuela, A. Juan
International Journal of Hydrogen Energy , 37 (3) , 2661-2668 • 2012
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Hydrogen Adsorption on PdGa(110): A DFT Study
P. Bechthold, P. Jasen, E. González, A. Juan
The Journal of Physical Chemistry C , 116 (33) , 17518-17524 • 2012
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Hydrogen adsorption on palladium dimer decorated graphene: A bonding study
I. López-Corral, E. Germán, A. Juan, M.A. Volpe, G.P. Brizuela
International Journal of Hydrogen Energy , 37 (8) , 6653-6665 • 2012
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Modeling of CN-functionalized silica as vehicle for delivery of the chemotherapeutic agent: cisplatin
S. Simonetti, A. Díaz Compañy, G. Brizuela, A. Juan
Applied Physics A , 109 (1) , 63-68 • 2012
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Oxygen vacancy formation on the Ni/Ce0.75Zr0.25O2(111) surface. A DFT+U study
Delfina García Pintos, Alfredo Juan, Beatriz Irigoyen
International Journal of Hydrogen Energy , 37 (19) , 14937-14944 • 2012
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The adsorption of CO on potassium doped molybdenum carbide surface: An ab-initio study
Carolina Pistonesi, María Estela Pronsato, László Bugyi, A. Juan
Catalysis Today , 181 (1) , 102-107 • 2012
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The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure
S. Pirillo, I. López-Corral, E. Germán, A. Juan
Applied Surface Science , 263 , 79-85 • 2012