LUCIANO SANCHEZ MERLINSKY; CAROLINA PISTONESI; M. ESTELA PRONSATO; LUIS BARALDO; FEDERICO J. WILLIAMS

Electronic structure modulation in ruthenium (II) polypyridine complexes adsorbed on rutile TiO2(110) surfaces

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2024 vol. 742

JULIÁN GUTIÉRREZ; YAEL N. ROBEIN; JULIAN JUAN ; MARÍA S. DI NEZIO; CAROLINA PISTONESI; ESTELA A. GONZÁLEZ; RODRIGO SANTOS; MARCELO PISTONESI

A combined experimental and DFT study on the zero valent iron/reduced graphene oxide doped QCM sensor for determination of trace concentrations of As using a Flow-batch system

SENSORS AND ACTUATORS B-CHEMICAL; Lugar: Amsterdam; Año: 2024 vol. 404 p. 135233 - 135242

JULIA KÖBL; CYNTHIA C. FERNÁNDEZ; LISA-MARIE AUGUSTIN; ELMAR Y. KATAEV; STEFANOFRANCHI; NATALIYA TSUD; CAROLINA PISTONESI; M. E. PRONSATO; NORBERT JUX; OLE LYTKEN; FEDERICO J. WILLIAMS; HANS-PETER STEINRÜCK

Benzohydroxamic acid on rutile TiO2(110)-(1×1)? a comparison of ultrahigh-vacuum evaporation with deposition from solution

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2022

CAIO VINÍCIUS DE LIMA; JULIAN JUAN; RICARDO FACCIO; ESTELA A. GONZÁLEZ; CAROLINA PISTONESI; MARCELO F PISTONESI; JULIO S. REBOUÇAS

Arsenic Adsorption on Nanoscale Zerovalent Iron Immobilized on Reduced Graphene Oxide (nZVI/rGO): Experimental and Theoretical Approaches

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2022

CHASVIN, NILDA; SVENDA, PETR; PRONSATO, ESTELA; DIEZ, ALEJANDRA; VOLPE, MARÍA ALICIA; JOHÁNEK, VIKTOR; PISTONESI, CAROLINA

Low-loading Pt/β-Mo 2 C catalyst for ethanol dissociation. Experimental and theoretical characterization

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2021 vol. 23 p. 23567 - 23575

GERMAN, ESTEFANIA; PISTONESI, CAROLINA; VALERIA VERDINELLI

A DFT study of H2 adsorption on Pdn/SnO2(110) surfaces (n= 1-10)

EUROPEAN PHYSICAL JOURNAL B - CONDENSED MATTER; Año: 2019 p. 92 - 98

ROBINA, A.; BECHTHOLD, P.; JUAN, A.; PISTONESI, C.; PRONSATO, M.E.

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

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2018 vol. 43 p. 16085 - 16091

LUNA, C.R.; BECHTHOLD, P.; BRIZUELA, G.; JUAN, A.; PISTONESI, C.

The adsorption of CO, O2 and H2 on Li–doped defective (8,0) SWCNT: A DFT study

APPLIED SURFACE SCIENCE; Año: 2018 vol. 459 p. 201 - 207

SEDIVÁ, ROMANA; PISTONESI, CAROLINA; PRONSATO, MARÍA ESTELA; DUCHON, TOMÁS; STETSOVYCH, VITALII; MYSLIVECEK, JOSEF; MASEK, KAREL

One-dimensional tungsten oxide nanostructures on Cu(110) surface

JOURNAL OF PHYSICS CONDENSED MATTER; Lugar: Londres; Año: 2018 vol. 30

NILDA CHASVIRN ORRADRE; ALEJANDRA DIEZ; MARÍA ESTELA PRONSATO; ROMANA SEDIVÁ; VIKTOR JOHÁNEK; MARIA ALICIA VOLPE; CAROLINA PISTONESI

Theoretical and experimental study of Ethanol Adsorption and Dissociation on β-Mo2C Surfaces

Molecular Catalysis; Lugar: Amsterdam; Año: 2017 vol. 439 p. 163 - 170

ROMANA SEDIVÁ; KAREL MASEK; MARÍA ESTELA PRONSATO; CAROLINA PISTONESI

Tungsten oxide nanowire on copper surfaces: a DFT model

RSC Advances; Lugar: Cambridge; Año: 2016 vol. 6 p. 88463 - 88468

CARLA ROMINA LUNA; VALERIA VERDINELLI; ESTEFANÍA GERMÁN; HERNAN SEITZ; MARA VOLPE; CAROLINA PISTONESI; PAULA JASEN

Hydrogen Adsorption and Associated Electronic and Magnetic Properties of Rh-Decorated (8,0) Carbon Nanotubes Using Density Functional Theory

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 13238 - 13247

BECHTHOLD, PABLO; PRONSATO, M. ESTELA; PISTONESI, CAROLINA

DFT study of CO adsorption on Pd-SnO2(110) surfaces

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 374 p. 291 - 298

PISTONESI, CAROLINA; PRONSATO, M. ESTELA; BUGYI. LAZLO; JUAN, A

Theoretical Model of CO Adsorption and Dissociation on Clean and K-doped beta-Mo2C Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2012 vol. 116 p. 24573 - 24581

PISTONESI, CAROLINA; PRONSATO, M. ESTELA; BUGYI. LAZLO; JUAN, ALFREDO

The adsorption of CO on potassium doped molybdenum carbide surface: an ab-initio study

CATALYSIS TODAY; Lugar: Amsterdam; Año: 2012 vol. 181 p. 102 - 107

PISTONESI, CAROLINA; PRONSATO, M. ESTELA; JUAN, ALFREDO; BUGYI. LAZLO; SOLYMOSI, FRIGYES

Density Functional Theory Study of Methyl Iodide Adsorption and Dissociation on Clean and K-Promoted beta-Mo2C Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2011 vol. 115 p. 2798 - 2804

PISTONESI, CAROLINA; JUAN, ALFREDO; FARKAS, ARNOLD P.; SOLYMOSI, FRIGYES

Effects of potassium on the adsorption of methanol on beta-Mo2C(001) surface

SURFACE SCIENCE; Año: 2010 vol. 604 p. 914 - 919

PISTONESI, CAROLINA; PRONSATO, ESTELA; JUAN, ALFREDO

A DFT study of H adsorption on Pt(111) and Pt-Ru (111) surfaces

APPLIED SURFACE SCIENCE; Año: 2008 vol. 254 p. 5827 - 5830

PISTONESI, CAROLINA; JUAN, ALFREDO; FARKAS, ARNOLD P.; SOLYMOSI, FRIGYES

DFT study of methanol adsorption and dissociation on beta-Mo2C(001)

SURFACE SCIENCE; Año: 2008 vol. 602 p. 2206 - 2211

PISTONESI, CAROLINA; JUAN, ALFREDO; IRIGOYEN, BEATRIZ; AMADEO, NORMA

Theoretical and experimental study of methane steam reforming reactions over nickel catalyst

APPLIED SURFACE SCIENCE; Año: 2007 vol. 253 p. 4427 - 4437

SIMONETTI, SANDRA; PISTONESI, CAROLINA; JUAN, ALFREDO; BRIZUELA, GRACIELA

The multiple hydrogen location near a a-Fe vacancy

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2005 vol. 66 p. 1240 - 1246

PRONSATO, ESTELA; PISTONESI, CAROLINA; JUAN, ALFREDO

Density functional study of H-Fe vacancy interaction in bcc iron

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2004 vol. 16 p. 6917 - 6928

JUAN, ALFREDO; PISTONESI, CAROLINA; GARCÍA, ALEJANDRO; BRIZUELA, GRACIELA

The electronic structure and bonding of a H–H pair in the vicinity of a BCC Fe bulk vacancy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2003 vol. 28 p. 995 - 1004

GONZALES, ESTELA; BRIZUELA, GRACIELA; PISTONESI, CAROLINA; JUAN, ALFREDO

A theoretical study of a H-H pair on bcc

SURFACE REVIEW AND LETTERS; Lugar: London, UK; Año: 2003 vol. 10 p. 661 - 668

JUAN, A; DAMIANI, DANIEL; PISTONESI, CAROLINA; GARCÍA, ALEJANDRO

The Electronic Structure and Bonding of MAO on the Si02 (111) Hydrated Surface

MACROMOLECULAR THEORY AND SIMULATIONS; Lugar: Weinheim; Año: 2001 vol. 10 p. 485 - 490

JUAN, ALFREDO; DAMIANI, DANIEL; PISTONESI, CAROLINA

Study of zirconocene and MAO interaction with SiO surfaces

APPLIED SURFACE SCIENCE; Año: 2000 vol. 161 p. 417 - 425

BONIVARDI, ADRIAN; PISTONESI, CAROLINA; MENGHINI, MARIELA; JUAN, ALFREDO

CO on Pd(1 0 0)/SiO2: a computational study of the e€ect of

COMPUTATIONAL MATERIALS SCIENCE; Año: 2000 vol. 18 p. 39 - 47

GUTIÉRREZ, R. H.; LAURA, P. A. A.; FÉLIX, D.; PISTONESI, CAROLINA

FUNDAMENTAL FREQUENCY OF TRANSVERSE VIBRATION

JOURNAL OF SOUND AND VIBRATION; Año: 2000 vol. 230 p. 1191 - 1195

JUAN, ALFREDO; DAMIANI, DANIEL; PISTONESI, CAROLINA

Zirconocene interaction with MAO on (111) and (100)

MACROMOLECULAR THEORY AND SIMULATIONS; Lugar: Weinheim; Año: 2000 vol. 9 p. 381 - 387

LAURA, P. A. A.; GUTIÉRREZ, R. H.; PISTONESI, CAROLINA

Comments on Natural frequencies of

JOURNAL OF SOUND AND VIBRATION; Lugar: Amsterdam; Año: 2000 vol. 230 p. 447 - 448

PISTONESI, CAROLINA; LAURA, P. A. A.

FORCED VIBRATIONS OF A CLAMPED, CIRCULAR PLATE OF

JOURNAL OF SOUND AND VIBRATION; Lugar: Amsterdam; Año: 1999 vol. 228 p. 712 - 716

PISTONESI, CAROLINA; GARCÍA, ALEJANDRO; BRIZUELA, GRACIELA; JUAN, ALFREDO

A Computational Study of H-Fe Vacancy

JOURNAL OF PHYSICS - D (APPLIED PHYSICS); Lugar: Londres; Año: 1998 vol. 31 p. 588 - 594

JUAN, ALFREDO; PISTONESI, CAROLINA

A Computational Simulation for H- dislocated BCC Fe interaction

MATERIALS CHEMISTRY AND PHYSICS; Lugar: Amsterdam; Año: 1998 vol. 55 p. 61 - 67