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Theoretical study of the role of the interface of Ag4 nanoclusters deposited on TiO2(110) and TiO2(101)
Ana B. Schvval, Alfredo Juan, Gabriela F. Cabeza
Applied Surface Science , 490 , 343-351 • 2019
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Relevance of silica surface morphology in Ampyra adsorption. Insights from quantum chemical calculations
E. Noseda Grau, G. Román, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti
RSC Advances , 9 (8) , 4415-4421 • 2019
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Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study
Valeria Verdinelli, Alfredo Juan, Estefania German
International Journal of Hydrogen Energy , 44 (16) , 8376-8383 • 2019
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Surface modification vs sorption strength: Study of nedaplatin drug supported on silica
E. Noseda Grau, G. Román, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti
Applied Surface Science , 465 , 693-699 • 2019
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Zero energy mode for an electron in graphene in a perpendicular magnetic field with constant asymptotics
Juan Sebastián Ardenghi, Alfredo Juan, Valeria Orazi, Lucas Sourrouille
Physica E: Low-dimensional Systems and Nanostructures , 109 , 225-227 • 2019
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A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug
G. Román, E. Noseda Grau, A. Díaz Compañy, G. Brizuela, A. Juan, S. Simonetti
The European Physical Journal E , 41 (9) • 2018
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Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies
Agustín Spaltro, Matías Pila, Sandra Simonetti, Silvia Álvarez-Torrellas, Juan García Rodríguez, Danila Ruiz, Andres Díaz Compañy, Alfredo Juan, Patricia Allegretti
Journal of Contaminant Hydrology , 218 , 84-93 • 2018
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Adsorption of bentazon on CAT and CARBOPAL activated carbon: Experimental and computational study
Agustín Spaltro, Sandra Simonetti, Silvia Alvarez Torrellas, Juan Garcia Rodriguez, Danila Ruiz, Alfredo Juan, Patricia Allegretti
Applied Surface Science , 433 , 487-501 • 2018
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Formation of localized magnetic states in graphene in hollow-site adsorbed adatoms
F. Escudero, J.S. Ardenghi, L. Sourrouille, P. Jasen, A. Juan
Superlattices and Microstructures , 113 , 291-300 • 2018
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Hydrogen storage in Zr0.9Ti0.1(Ni0.5Cr0.5-xVx)2 Laves phase, with x = 0, 0.125, 0.25, 0.375, 0.5. A theoretical approach
A. Robina, P. Bechthold, A. Juan, C. Pistonesi, M.E. Pronsato
International Journal of Hydrogen Energy , 43 (33) , 16085-16091 • 2018