NICOLÁS DOMANCICH; FUENTE SILVIA A; ANA ROSSI FERNÁNDEZ; LORENA MEIER; N. CASTELLANI

Significance of different dopamine species as reducing agents of graphene oxide: Fundamental aspects

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2023

BELELLI, PATRICIA GABRIELA; FUENTE, SILVIA A.; FERULLO, RICARDO M.

Theoretical Study on the Selective 1,2‐Reduction of α,β‐Unsaturated Ketones by Hydrogen Transfer Reaction on MgO(100)

Chemphyschem; Año: 2022

MORGADE, CECILIA I. N.; SCHVVAL, ANA B.; FUENTE SILVIA A; J. CARLOS DURAN ALVAREZ; CAMILA BUONO; MARIELA DESIMONE; CELSO M. ALDAO; CABEZA, GABRIELA F.

Synthesis and Theoretical-Experimental Characterization of BiOBr: The Role of Oxygen and Halide Vacancies on the Optoelectric Properties of this Bismuth Oxyhalide

TOPICS IN CATALYSIS; Lugar: New York; Año: 2022

SCHVVAL, ANA B.; JIMÉNEZ, M. JULIA; FUENTE, SILVIA; CABEZA, GABRIELA F.; MORGADE, CECILIA I. N.

Theoretical study of the modification of the oxide-reducing capacity of titania from selected dopant elements

Journal of Computational Electronics; Año: 2020 vol. 19 p. 493 - 506

CAROLINA ZUBIETA; AQUINO LINAREZ, LUIS G.; SILVIA A. FUENTE; PATRICIA BELELLI; FERULLO, RICARDO M.

Growth and structure of Cu, Ag and Au clusters on α-Fe2O3(0001): A comparative density functional study

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2020

MORGADE, CECILIA I. N.; FUENTE SILVIA A; SANDOVAL MARISA; MARIA ESTER MANDOLESI; RAFAEL OMAR CURA

Evolución de estrategias didácticas para la enseñanza de la química en un curso de primer año de ingeniería

Docencia Universitaria ; Año: 2019 vol. 20 p. 55 - 78

NICOLÁS DOMANCICH; ANA ROSSI; LORENA MEIER; FUENTE, SILVIA; N. CASTELLANI

DFT study of graphene oxide reduction by a dopamine species

MOLECULAR PHYSICS; Lugar: Londres; Año: 2019

FUENTE, SILVIA A.; ZUBIETA, CAROLINA; FERULLO, RICARDO M.; BELELLI, PATRICIA G.

Theoretical Study of the Water–Gas Shift Reaction on a Au/Hematite Model Catalyst

TOPICS IN CATALYSIS; Año: 2019

ALFONSO TOBÓN, LESLIE L.; FUENTE, SILVIA; BRANDA, MARÍA M.

Electronic and magnetic properties of the adsorption of As harmful species on zero-valent Fe surfaces, clusters and nanoparticules

APPLIED SURFACE SCIENCE; Año: 2019 vol. 465 p. 715 - 723

FUENTE, SILVIA A.; FORTUNATO, LEANDRO F.; ZUBIETA, CAROLINA; FERULLO, RICARDO M.; BELELLI, PATRICIA G.

Water dissociation at the Au/α-Fe2O3(0001) interface

Molecular Catalysis; Año: 2018 vol. 446 p. 10 - 22

LEANDRO F. FORTUNATO; CAROLINA ZUBIETA; FUENTE SILVIA A; PATRICIA G. BELELLI; RICARDO FERULLO

Density Functional Studies of Small Au Clusters adsorbed on α-FeOOH: structural and electronic properties

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 387 p. 894 - 901

SILVIA A. FUENTE; CRISTIÁN A. FERRETTI; NICOLÁS DOMANCICH; VERONICA K. DÍEZ ; C. APESTEGUÍA; I. DI COSIMO; RICARDO M. FERULLO; N. CASTELLANI

"Adsorption of 2-propanol on MgO Surface: A Combined Experimental and Theoretical Study"

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 327 p. 268 - 276

PATRICIA G. BELELLI; SILVIA A. FUENTE; NORBERTO J. CASTELLANI

Phosphate adsorption on goethite and Al-rich goethite

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 85 p. 59 - 66

SILVIA A. FUENTE ; PATRICIA G. BELELLI; NORBERTO J. CASTELLANI; MARCELO J. AVENA

LDA+U and GGA+U studies of Al-rich and bulk goethite (alfa-FeOOH)

MATERIALS CHEMISTRY AND PHYSICS; Lugar: Amsterdam; Año: 2013 vol. 137 p. 1012 - 1020

SILVIA A. FUENTE; LEANDRO F. FORTUNATO; NICOLÁS DOMANCICH; NORBERTO J. CASTELLANI; RICARDO M. FERULLO

Formation of nitric oxide dimers on MgO-supported gold particles

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2012 vol. 606 p. 1948 - 1953

C. FERRETTI; S. FUENTE; R. FERULLO,; N. CASTELLANI,; C. APESTEGUÍA; I. DI COSIMO

Monoglyceride synthesis by glycerolysis of methyl oleate on MgO: catalytic and DFT study of the active site

APPLIED CATALYSIS A-GENERAL; Lugar: Amsterdam; Año: 2012 vol. 413 p. 322 - 331

SILVIA FUENTE; MARÍA M. BRANDA; FRANCESC ILLAS

Role of step sites on water dissociation on stoichiometric ceria surfaces

THEORETICAL CHEMISTRY ACCOUNTS; Lugar: Berlin; Año: 2012 vol. 131 p. 1190 - 1197

SILVIA A. FUENTE, RICARDO M. FERULLO, NICOLÁS F. DOMANCICH, NORBERTO J. CASTELLANI.

"Interaction of NO with Au nanoparticles supported on (100) terraces and topological defects of MgO"

SURFACE SCIENCE; Lugar: Amsterdam (Holanda); Año: 2011 vol. 605 p. 81 - 88

SILVIA A. FUENTE, PATRICIA G. BELELLI, MARÍA M. BRANDA, RICARDO M. FERULLO, NORBERTO J. CASTELLANI.

Formation of Ag2, Au2 and AgAu particles on MgO(1 0 0): DFT study on the role of support-induced charge transfer in metal-metal interactions.

APPLIED SURFACE SCIENCE; Lugar: Amsterdam (Holanda); Año: 2009 vol. 255 p. 7380 - 7384

RICARDO M. FERULLO, SILVIA A. FUENTE, PATRICIA G. BELELLI, NORBERTO J. CASTELLANI

CO interaction with Au atoms adsorbed on terrace, edge and corner sites of the MgO(100) surface. Electronic structure and vibrational analysis from DFT.

SURFACE SCIENCE; Lugar: Amsterdam (Holanda); Año: 2009 vol. 603 p. 1262 - 1269

SILVIA A. FUENTE, PATRICIA G. BELELLI, RICARDO M. FERULLO, NORBERTO J. CASTELLANI

Adsorption of NO on Au atoms and dimers supported on MgO(100). Density functional studies.

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 602 p. 1669 - 1676

RICARDO M. FERULLO, SILVIA A. FUENTE, MARÍA M. BRANDA, NORBERTO J. CASTELLANI

Theoretical study of N2O2 interaction with BaO(100) surface

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2007 vol. 818 p. 57 - 64

RICARDO M. FERULLO, SILVIA A. FUENTE, PATRICIA G. BELELLI, NORBERTO J. CASTELLANI

DFT study of NH3 dissociation on Si(111)-7 x 7. The role of intermolecular interaction.

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2007 vol. 601 p. 1870 - 1875