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Density functional study of H–Fe vacancy interaction in bcc iron
M Estela Pronsato, Carolina Pistonesi, Alfredo Juan
Journal of Physics: Condensed Matter , 16 (39) , 6907-6916 • 2004
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EFFECTS OF SULFUR AND CARBON ON THE ELECTRONIC STRUCTURE AND BONDING OF A GRAIN BOUNDARY IN α-IRON
S. B. GESARI, M. E. PRONSATO, A. JUAN
Surface Review and Letters , 11 (02) , 145-153 • 2004
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Quantum chemical study of C and H location in an fcc stacking fault
S Simonetti
International Journal of Hydrogen Energy , 29 (6) , 649-658 • 2004
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Quantum chemical study of sulfur and hydrogen at the Σ=5 BCC Fe grain boundary
S.B. Gesari, M.E. Pronsato, A. Juan
Journal of Physics and Chemistry of Solids , 65 (7) , 1337-1344 • 2004
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The adsorption of hydrogen on face centered tetragonal FePd surfaces
Estela A. Gonzalez, Paula V. Jasen, Norberto J. Castellani, Alfredo Juan
Solid State Communications , 131 (2) , 81-85 • 2004
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The adsorption of methylcyclopentane on Pt(111)
G. Brizuela, S. Simonetti, E. Pronsato, A. Juan
Surface Science , 556 (1) , 11-21 • 2004
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The effect of interstitial hydrogen on the electronic structure of Fe–Pd alloys
Estela A. Gonzalez, Paula V. Jasen, Norberto J. Castellani, Alfredo Juan
Journal of Physics and Chemistry of Solids , 65 (11) , 1799-1807 • 2004
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A Theoretical Study of a H–H Pair on the BCC Fe(100) Surface
E. Gonzalez, G. Brizuela, C. Pistonesi, A. Juan
Surface Review and Letters , 10 (04) , 661-668 • 2003
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The adsorption of toluene on V–Sb oxides. Theoretical aspects
B. Irigoyen, A. Juan, S. Larrondo, N. Amadeo
Surface Science , 523 (3) , 252-266 • 2003
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THE EFFECT OF H ON THE ELECTRONIC STRUCTURE OF AN Fe(110)–Pd(100) INTERFACE
PAULA V. JASEN, ESTELA A. GONZALEZ, OSCAR A. NAGEL, ALFREDO JUAN
Surface Review and Letters , 10 (06) , 879-888 • 2003