GAVILÁN ARRIAZU, E. M.; MERCER, MICHAEL P.; BARRACO DÍAZ, D.E.; HOSTER, HARRY E.; ,E.P.M. LEIVA

Voltammetric Behaviour of LMO at the Nanoscale: A Map of Reversibility and Diffusional Limitations

Chemphyschem; Lugar: Weinheim; Año: 2022 vol. 23 p. 1 - 12

GAVILÁN ARRIAZU, E. M.; BARRACO DÍAZ, D.E.; E.P.M. LEIVA

On how interactions influence kinetic limitations in alkali-ion batteries. Application to Li-ion intercalation into graphite through voltammetric experiments

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Lugar: Berlin; Año: 2022 vol. 25 p. 2793 - 2806

PARA, M. LAURA; CALDERÓN, C. ANDREA; SARA DRVARIC TALIAN; G. LUQUE; BARRACO DÍAZ, D.E.; E.P.M. LEIVA; G. LUQUE; BARRACO DÍAZ, D.E.; DOMINKO, ROBERT

Extending the Conversion Rate of Sulfur Infiltrated into Microporous Carbon in Carbonate Electrolytes

Batteries & Supercaps; Lugar: Berlin; Año: 2022 vol. 5

AMICI, JULIA; CALDERÓN, CECILIA ANDREA; VERSACI, DANIELE; LUQUE, GUILLERMINA; BARRACO, DANIEL; LEIVA, EZEQUIEL; FRANCIA, CARLOTTA; BODOARDO, SILVIA

Composite polymer electrolyte with high inorganic additive contents to enable metallic lithium anode

ELECTROCHIMICA ACTA; Año: 2022 vol. 404

PARA, MARÍA L.; CALDERÓN, CECILIA A.; DRVARI? TALIAN, SARA; FISCHER, FLORENT; LUQUE, GUILLERMINA L.; BARRACO, DANIEL E.; LEIVA, EZEQUIEL P. M.; DOMINKO, ROBERT

Extending the Conversion Rate of Sulfur Infiltrated into Microporous Carbon in Carbonate Electrolytes

Batteries and Supercaps; Año: 2022 vol. 5

MERCER, MICHAEL PETER; AFFLECK, SAM; GAVILÁN-ARRIAZU, EDGARDO MAXIMILIANO; ZÜLKE, ALANA ARAGÓN; MAUGHAN, PHILIP A.; TRIVEDI, SHIVAM; FICHTNER, MAXIMILIAN; REDDY MUNNANGI, ANJI; LEIVA, EZEQUIEL P. M.; HOSTER, HARRY ERNST

Sodiation Of Hard Carbon: How Separating Enthalpy And Entropy Contributions Can Find Transitions Hidden In The Voltage Profile

Chemphyschem; Año: 2022 vol. 23

VÉLEZ, PATRICIO; LUQUE, GUILLERMINA L.; BARRACO, DANIEL E.; FRANCO, ALEJANDRO A.; LEIVA, EZEQUIEL P.M.

Pore size distribution of carbon black: An approach from a coarse-grained potential

COMPUTACIONAL MATERIALS SCIENCE; Año: 2022 vol. 209

PANTANO, FERNANDO R.; LEIVA, EZEQUIEL P.M.; ROJAS, MARIANA I.

Changes in electronic structure of graphene by adsorption of low melamine coverages

SURFACE SCIENCE; Año: 2022 vol. 723

GAVILÁN-ARRIAZU, E.M.; BARRACO, D.E.; EIN-ELI, Y.; LEIVA, E.P.M.

Fast charging of alkali-ion batteries at the single-particle level: the impact of particle geometry on diffusional and kinetic bottlenecks in voltammetry

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2022

ZOLOFF MICHOFF, MARTIN E.; LOBO MAZA, FLAVIA E.; LUQUE, GUILLERMINA L.; LEIVA, EZEQUIEL P. M.

Surface Reactivity of Lithium (Poly)sulfides in a Polarizable Environment from First Principles

TOPICS IN CATALYSIS; Año: 2022 vol. 65 p. 966 - 978

GAVILÁN-ARRIAZU, E.M.; MERCER, M.P.; PINTO, O.A.; OVIEDO, O.A.; BARRACO, D.E.; HOSTER, H.E.; LEIVA, E.P.M.

Effect of temperature on the kinetics of electrochemical insertion of li-ions into a graphite electrode studied by kinetic Monte Carlo

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Lugar: New York; Año: 2021 vol. 167

JULIA AMICI; CALDERÓN, C. ANDREA; DANIELE VERSACI; G. LUQUE; BARRACO DÍAZ, D.E.; E.P.M. LEIVA; CARLOTTA FRANCIA; BODOARDO, SILVIA

Composite polymer electrolyte with high inorganic additive contents to enable metallic lithium anode

ELECTROCHIMICA ACTA; Lugar: Amsterdam; Año: 2021

VÉLEZ, PATRICIO; ROJAS, MARÍA DEL CARMEN; VELASCO, JUAN; PARA, MARÍA LAURA; BARRACO, DANIEL; LEIVA, EZEQUIEL P.M.; LUQUE, GUILLERMINA L.

On the role of oxidized graphene interfaces in lithium sulfur batteries: Thermodynamic and kinetic aspects using density functional theory

APPLIED SURFACE SCIENCE; Año: 2021 vol. 550

RUDERMAN, ANDRÉS; SMREKAR, SACHA; BRACAMONTE, M. VICTORIA; PRIMO, EMILIANO N.; LUQUE, GUILLERMINA L.; THOMAS, JORGE; LEIVA, EZEQUIEL; MONTI, GUSTAVO A.; BARRACO, DANIEL E.; VACA CHÁVEZ, FABIÁN

Unveiling the stability of Sn/Si/graphite composites for Li-ion storage by physical, electrochemical and computational tools

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2021 vol. 23 p. 3281 - 3289

VELASCO, JUAN J; VÉLEZ, PATRICIO; ZOLOFF MICHOFF, MARTIN E; VISINTÍN, ARNALDO; VERSACI, DANIELE; BODOARDO, SILVIA; LUQUE, GUILLERMINA L; LEIVA, EZEQUIEL P M

Role of the solvent in the activation of Li2S as cathode material: A DFT study

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2021 vol. 33

FERNANDEZ, FRANCISCO; PAZ, SERGIO ALEXIS; OTERO, MANUEL; BARRACO, DANIEL; LEIVA, EZEQUIEL P. M.

Characterization of amorphous LixSi structures from ReaxFF via accelerated exploration of local minima

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2021 vol. 23 p. 16776 - 16784

GAVILÁN-ARRIAZU, E M; MERCER, M P; BARRACO, D E; HOSTER, H E; LEIVA, E P M

Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain

Progress in Energy; Año: 2021 vol. 3

DANIELE VERSACI; MELINA COZZARIN; JULIA AMICI; CARLOTTA FRANCIA; EZEQUIEL P.M. LEIVA; VISINTIN A.; SILVIA BODOARDO

Influence of synthesis parameters on g-C 3 N 4 polysulfides trapping: A systematic study

MATERIALS TODAY; Año: 2021 vol. 25 p. 101169 - 101182

VÉLEZ, PATRICIO; ROJAS, MARÍA DEL CARMEN; VELASCO, JUAN; PARA, MARÍA LAURA; BARRACO, DANIEL; LEIVA, EZEQUIEL P.M.; LUQUE, GUILLERMINA L.

On the role of oxidized graphene interfaces in lithium sulfur batteries: Thermodynamic and kinetic aspects using density functional theory

APPLIED SURFACE SCIENCE; Año: 2021 vol. 550

RUDERMAN, ANDRÉS; SMREKAR, SACHA; BRACAMONTE, M. VICTORIA; PRIMO, EMILIANO N.; LUQUE, GUILLERMINA L.; THOMAS, JORGE; LEIVA, EZEQUIEL; MONTI, GUSTAVO A.; BARRACO, DANIEL E.; VACA CHÁVEZ, FABIÁN

Unveiling the stability of Sn/Si/graphite composites for Li-ion storage by physical, electrochemical and computational tools

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2021 vol. 23 p. 3281 - 3289

VELASCO, JUAN J; VÉLEZ, PATRICIO; ZOLOFF MICHOFF, MARTIN E; VISINTÍN, ARNALDO; VERSACI, DANIELE; BODOARDO, SILVIA; LUQUE, GUILLERMINA L; LEIVA, EZEQUIEL P M

Role of the solvent in the activation of Li2S as cathode material: A DFT study

JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2021 vol. 33

FERNANDEZ, FRANCISCO; PAZ, SERGIO ALEXIS; OTERO, MANUEL; BARRACO, DANIEL; LEIVA, EZEQUIEL P. M.

Characterization of amorphous LixSi structures from ReaxFF via accelerated exploration of local minima

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2021 vol. 23 p. 16776 - 16784

GAVILÁN-ARRIAZU, E M; MERCER, M P; BARRACO, D E; HOSTER, H E; LEIVA, E P M

Kinetic Monte Carlo simulations applied to Li-ion and post Li-ion batteries: a key link in the multi-scale chain

Progress in Energy; Año: 2021 vol. 3

DANIELE VERSACI; MELINA COZZARIN; JULIA AMICI; CARLOTTA FRANCIA; EZEQUIEL P.M. LEIVA; VISINTIN A.; SILVIA BODOARDO

Influence of synthesis parameters on g-C 3 N 4 polysulfides trapping: A systematic study

MATERIALS TODAY; Año: 2021 vol. 25 p. 101169 - 101182

GAVILÁN-ARRIAZU, E.M.; BARRACO, D.E.; LEIVA, E.P.M.

On how interactions influence kinetic limitations in alkali-ion batteries. Application to Li-ion intercalation into graphite through voltammetric experiments

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Lugar: Berlin; Año: 2021 vol. 25 p. 2793 - 2806

GAVILÁN-ARRIAZU, E.M.; BARRACO, D.E.; LEIVA, E.P.M.

On how interactions influence kinetic limitations in alkali-ion batteries. Application to Li-ion intercalation into graphite through voltammetric experiments

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2021 vol. 25 p. 2793 - 2806

LEIVA, E.P.M.

Modeling of lithium-ion batteries is becoming viral: where to go?

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 2117 - 2120

LEIVA, E.P.M.

Modeling of lithium-ion batteries is becoming viral: where to go?

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 2117 - 2120

CALDERÓN, C. ANDREA; VIZINTIN, ALEN; BOBNAR, JERNEJ; BARRACO, DANIEL E.; LEIVA, EZEQUIEL P.M.; VISINTIN, ARNALDO; FANTINI, SÉBASTIEN; FISCHER, FLORENT; DOMINKO, ROBERT

Lithium Metal Protection by a Cross-Linked Polymer Ionic Liquid and Its Application in Lithium Battery

ACS Applied Energy Materials; Año: 2020 vol. 3 p. 2020 - 2027

GAVILÁN-ARRIAZU, E.M.; PINTO, O.A.; LÓPEZ DE MISHIMA, B.A.; BARRACO, D.E.; OVIEDO, O.A.; LEIVA, E.P.M.

Kinetic Monte Carlo applied to the electrochemical study of the Li-ion graphite system

ELECTROCHIMICA ACTA; Año: 2020 vol. 331

GAVILÁN-ARRIAZU, E.M.; MERCER, M.P.; PINTO, O.A.; OVIEDO, O.A.; BARRACO, D.E.; HOSTER, H.E.; LEIVA, E.P.M.

Numerical simulations of cyclic voltammetry for lithium-ion intercalation in nanosized systems: finiteness of diffusion versus electrode kinetics

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 3279 - 3287

GARCÍA-SORIANO, FRANCISCO J.; PARA, M. LAURA; LUQUE, GUILLERMINA L.; BARRACO, DANIEL; LEIVA, EZEQUIEL P. M.; LENER, GERMAN

Improving the polysulfide barrier by efficient carbon nanofibers coating on separator/cathode for Li-S batteries

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 2341 - 2351

GAVILÁN-ARRIAZU, E.M.; HÜMÖLLER, J.M.; PINTO, O.A.; DE MISHIMA, B.A. LÓPEZ; LEIVA, E.P.M.; OVIEDO, O.A.

Fractional and integer stages of lithium ion-graphite systems: The role of electrostatic and elastic contributions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2020 vol. 22 p. 16174 - 16183

AMAYA-RONCANCIO, SEBASTIÁN; REINAUDI, LUIS; CHAUQUE, SUSANA; OLIVA, FABIANA Y.; CÁMARA, OSVALDO R.; LEIVA, EZEQUIEL P.M.; GIMENEZ, M. CECILIA

Ab initio calculations of lithium titanates related to anodes of lithium-ion batteries

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2020 vol. 141

SMREKAR, SACHA; BRACAMONTE, M. VICTORIA; PRIMO, EMILIANO N.; LUQUE, GUILLERMINA L.; THOMAS, JORGE; BARRACO, DANIEL E.; LEIVA, EZEQUIEL

A Mapping of the Physical and Electrochemical Properties of Composite Lithium‐Ion Batteries Anodes Made from Graphite, Sn, and Si

Batteries & Supercaps; Año: 2020 vol. 3 p. 1248 - 1256

FARIGLIANO, LUCAS M.; VILLARREAL, MARCOS A.; LEIVA, EZEQUIEL P. M.; PAZ, S. ALEXIS

Thermodynamics of Nanoparticle Coalescence at Different Temperatures via Well-Tempered Metadynamics

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2020 vol. 124 p. 24009 - 24016

GAVILÁN-ARRIAZU, E.M.; PINTO, O.A.; LÓPEZ DE MISHIMA, B.A.; BARRACO, D.E.; OVIEDO, O.A.; LEIVA, E.P.M.

Kinetic Monte Carlo applied to the electrochemical study of the Li-ion graphite system

ELECTROCHIMICA ACTA; Año: 2020 vol. 331

GAVILÁN-ARRIAZU, E.M.; MERCER, M.P.; PINTO, O.A.; OVIEDO, O.A.; BARRACO, D.E.; HOSTER, H.E.; LEIVA, E.P.M.

Numerical simulations of cyclic voltammetry for lithium-ion intercalation in nanosized systems: finiteness of diffusion versus electrode kinetics

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 3279 - 3287

GARCÍA-SORIANO, FRANCISCO J.; PARA, M. LAURA; LUQUE, GUILLERMINA L.; BARRACO, DANIEL; LEIVA, EZEQUIEL P. M.; LENER, GERMAN

Improving the polysulfide barrier by efficient carbon nanofibers coating on separator/cathode for Li-S batteries

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2020 vol. 24 p. 2341 - 2351

GAVILÁN-ARRIAZU, E.M.; HÜMÖLLER, J.M.; PINTO, O.A.; DE MISHIMA, B.A. LÓPEZ; LEIVA, E.P.M.; OVIEDO, O.A.

Fractional and integer stages of lithium ion-graphite systems: The role of electrostatic and elastic contributions

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2020 vol. 22 p. 16174 - 16183

AMAYA-RONCANCIO, SEBASTIÁN; REINAUDI, LUIS; CHAUQUE, SUSANA; OLIVA, FABIANA Y.; CÁMARA, OSVALDO R.; LEIVA, EZEQUIEL P.M.; GIMENEZ, M. CECILIA

Ab initio calculations of lithium titanates related to anodes of lithium-ion batteries

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2020 vol. 141

SMREKAR, SACHA; BRACAMONTE, M. VICTORIA; PRIMO, EMILIANO N.; LUQUE, GUILLERMINA L.; THOMAS, JORGE; BARRACO, DANIEL E.; LEIVA, EZEQUIEL

A Mapping of the Physical and Electrochemical Properties of Composite Lithium‐Ion Batteries Anodes Made from Graphite, Sn, and Si

Batteries & Supercaps; Año: 2020 vol. 3 p. 1248 - 1256

FARIGLIANO, LUCAS M.; VILLARREAL, MARCOS A.; LEIVA, EZEQUIEL P. M.; PAZ, S. ALEXIS

Thermodynamics of Nanoparticle Coalescence at Different Temperatures via Well-Tempered Metadynamics

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2020 vol. 124 p. 24009 - 24016

LUQUE, GUILLERMINA L.; LI, YAN; ZENG, XIAOQIAO; LUO, XIANGYI; LEIVA, EZEQUIEL P. M.; CHEN, ZONGHAI; AMINE, KHALIL

Impact of alginate and fluoroethylene carbonate on the electrochemical performance of SiO–SnCoC anode for lithium-ion batteries

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2019 vol. 23 p. 397 - 405

VÉLEZ, PATRICIO; PARA, M. LAURA; LUQUE, GUILLERMINA L.; BARRACO, DANIEL; LEIVA, EZEQUIEL P.M.

Modeling of substitutionally modified graphene structures to prevent the shuttle mechanism in lithium-sulfur batteries

ELECTROCHIMICA ACTA; Año: 2019 vol. 309 p. 402 - 414

PERASSI, EDUARDO M.; LEIVA, EZEQUIEL P.M.

Capacity fading model for a solid electrolyte interface with surface growth

ELECTROCHIMICA ACTA; Año: 2019 vol. 308 p. 418 - 425

PRIMO, EMILIANO N.; BRACAMONTE, MARÍA V.; LUQUE, GUILLERMINA L.; BERCOFF, PAULA G.; LEIVA, EZEQUIEL P. M.; BARRACO, DANIEL E.

Mechanochemically synthesized pyrite and its electrochemical behavior as cathode for lithium batteries

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2019 vol. 23 p. 1929 - 1938

GAVILÁN-ARRIAZU, E.M.; PINTO, O.A.; LÓPEZ DE MISHIMA, B.A.; LEIVA, E.P.M.; OVIEDO, O.A.

Grand Canonical Monte Carlo study of Li intercalation into graphite

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2019 vol. 165 p. 2019 - 2025

OLIVA, F.Y.; LEIVA, E.P.M.; LENER, G.; BARRACO, D.E.; TRINCAVELLI, J.C.

Study of the spontaneous oxidation of sodium in air by EPMA and Monte Carlo simulations

APPLIED SURFACE SCIENCE; Año: 2019 vol. 480 p. 1093 - 1099

GAVILÁN-ARRIAZU, E.M.; MERCER, M.P.; PINTO, O.A.; OVIEDO, O.A.; BARRACO, D.E.; HOSTER, H.E.; LEIVA, E.P.M.

Effect of temperature on the kinetics of electrochemical insertion of li-ions into a graphite electrode studied by kinetic Monte Carlo

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2019 vol. 167

GAVILÁN-ARRIAZU, E.M.; MERCER, M.P.; PINTO, O.A.; OVIEDO, O.A.; BARRACO, D.E.; HOSTER, H.E.; LEIVA, E.P.M.

Effect of temperature on the kinetics of electrochemical insertion of li-ions into a graphite electrode studied by kinetic Monte Carlo

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2019 vol. 167

MERCER, MICHAEL P.; OTERO, MANUEL; FERRER-HUERTA, MIRIAM; SIGAL, AGUSTÍN; BARRACO, DANIEL E.; HOSTER, HARRY E.; LEIVA, EZEQUIEL P.M.

Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements

ELECTROCHIMICA ACTA; Año: 2019 vol. 324

MERCER, MICHAEL P.; OTERO, MANUEL; FERRER-HUERTA, MIRIAM; SIGAL, AGUSTÍN; BARRACO, DANIEL E.; HOSTER, HARRY E.; LEIVA, EZEQUIEL P.M.

Transitions of lithium occupation in graphite: A physically informed model in the dilute lithium occupation limit supported by electrochemical and thermodynamic measurements

ELECTROCHIMICA ACTA; Año: 2019 vol. 324

SMREKAR, SACHA; ZOLOFF MICHOFF, MARTIN E.; THOMAS, JORGE E.; CALDERÓN, CECILIA A.; FARIGLIANO, LUCAS M.; VISINTIN, ARNALDO; LEIVA, EZEQUIEL P. M.; BARRACO, DANIEL E.

On the effect of the carbonaceous substrate in the nucleation of Sn nanoparticles for Li-ion anodes: experiments and first principles calculations

JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2018 vol. 22 p. 1721 - 1733

SCHOLZ, FRITZ; LEIVA, EZEQUIEL P. M.

Moïse Haïssinsky: The Discoverer of Underpotential Deposition

ChemElectroChem; Año: 2018 vol. 5 p. 849 - 854

OTERO, MANUEL; HEIM, CHRISTOPHER; LEIVA, EZEQUIEL P. M.; WAGNER, NORBERT; FRIEDRICH, ANDREAS

Design-Considerations regarding Silicon/Graphite and Tin/Graphite Composite Electrodes for Lithium-Ion Batteries

Scientific Reports; Año: 2018 vol. 8

GAVILÁN-ARRIAZU, E.M.; PINTO, O.A.; LÓPEZ DE MISHIMA, B.A.; BARRACO, D.E.; OVIEDO, O.A.; LEIVA, E.P.M.

The kinetic origin of the Daumas-Hérold model for the Li-ion/graphite intercalation system

ELECTROCHEMISTRY COMMUNICATIONS; Año: 2018 vol. 93 p. 133 - 137

LENER, G.; OTERO, M.; BARRACO, D.E.; LEIVA, E.P.M.

Energetics of silica lithiation and its applications to lithium ion batteries

ELECTROCHIMICA ACTA; Año: 2018 vol. 259 p. 1053 - 1058

LENER, G.; GARCIA-BLANCO, A.A.; FURLONG, O.; NAZZARRO, M.; SAPAG, K.; BARRACO, D.E.; LEIVA, E.P.M.

A silica/carbon composite as anode for lithium-ion batteries with a large rate capability: Experiment and theoretical considerations

ELECTROCHIMICA ACTA; Año: 2018 vol. 279 p. 289 - 300

LENER, G.; OTERO, M.; BARRACO, D.E.; LEIVA, E.P.M.

Energetics of silica lithiation and its applications to lithium ion batteries

ELECTROCHIMICA ACTA; Año: 2018 vol. 259 p. 1053 - 1058

LENER, G.; GARCIA-BLANCO, A.A.; FURLONG, O.; NAZZARRO, M.; SAPAG, K.; BARRACO, D.E.; LEIVA, E.P.M.

A silica/carbon composite as anode for lithium-ion batteries with a large rate capability: Experiment and theoretical considerations

ELECTROCHIMICA ACTA; Año: 2018 vol. 279 p. 289 - 300

E.P.M. LEIVA; E. PERASSI; D. BARRACO

Shedding Light on the Entropy Change Found for the Transition Stage II→Stage I of Li-Ion Storage in Graphite

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2017 vol. 164 p. 6154 - 6157

E.P.M. LEIVA; E. PERASSI; D. BARRACO

Shedding Light on the Entropy Change Found for the Transition Stage II→Stage I of Li-Ion Storage in Graphite

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2017 vol. 164 p. 6154 - 6157

O.A. PINTO; B. LÓPEZ DE MISHIMA; ,E.P.M. LEIVA; O.A. OVIEDO

Simulation of selective thermodynamic deposition in nanoholes

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 1601 - 1609

O.A. PINTO; B. LÓPEZ DE MISHIMA; ,E.P.M. LEIVA; O.A. OVIEDO

Simulation of selective thermodynamic deposition in nanoholes

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2017 vol. 19 p. 1601 - 1609

CHAUQUE, S.; OLIVA, F.Y.; VISINTIN, A.; BARRACO, D.; LEIVA, E.P.M.; CÁMARA, O.R.

Lithium titanate as anode material for lithium ion batteries: Synthesis, post-treatment and its electrochemical response

JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print); Año: 2017 vol. 799 p. 142 - 155

STUTZ, G.E.; OTERO, M.; CEPPI, S.A.; ROBLEDO, C.B.; LUQUE, G.; LEIVA, E.; BARRACO DÍAZ, D.E.

Intercalation stage dependence of core electronic excitations in Li-intercalated graphite from inelastic X-ray scattering

APPLIED PHYSICS LETTERS; Año: 2017 vol. 110

OTERO, M.; SIGAL, A.; PERASSI, E.M.; BARRACO, D.; LEIVA, E.P.M.

Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

ELECTROCHIMICA ACTA; Año: 2017 vol. 245 p. 569 - 574

GAVILÁN ARRIAZU, E. M.; LÓPEZ DE MISHIMA, B. A.; OVIEDO, O. A.; LEIVA, E. P. M.; PINTO, O. A.

Criticality of the phase transition on stage two in a lattice-gas model of a graphite anode in a lithium-ion battery

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2017 vol. 19 p. 23138 - 23145

CHAUQUE, S.; OLIVA, F.Y.; VISINTIN, A.; BARRACO, D.; LEIVA, E.P.M.; CÁMARA, O.R.

Lithium titanate as anode material for lithium ion batteries: Synthesis, post-treatment and its electrochemical response

JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print); Año: 2017 vol. 799 p. 142 - 155

STUTZ, G.E.; OTERO, M.; CEPPI, S.A.; ROBLEDO, C.B.; LUQUE, G.; LEIVA, E.; BARRACO DÍAZ, D.E.

Intercalation stage dependence of core electronic excitations in Li-intercalated graphite from inelastic X-ray scattering

APPLIED PHYSICS LETTERS; Año: 2017 vol. 110

OTERO, M.; SIGAL, A.; PERASSI, E.M.; BARRACO, D.; LEIVA, E.P.M.

Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

ELECTROCHIMICA ACTA; Año: 2017 vol. 245 p. 569 - 574

GAVILÁN ARRIAZU, E. M.; LÓPEZ DE MISHIMA, B. A.; OVIEDO, O. A.; LEIVA, E. P. M.; PINTO, O. A.

Criticality of the phase transition on stage two in a lattice-gas model of a graphite anode in a lithium-ion battery

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2017 vol. 19 p. 23138 - 23145

JUÁREZ, M.F.; ÁVILA, M.; RUDERMAN, A.; SANTOS, E.; LEIVA, E.P.M.; OVIEDO, O.A.

Hydrogen Evolution Reaction on Nanostructures Electrodes—a Scenario on Stepped Silver Surfaces

Electrocatalysis; Año: 2017 vol. 8 p. 587 - 593

FARIGLIANO, LUCAS M.; PAZ, SERGIO A.; LEIVA, EZEQUIEL P. M.; VILLARREAL, MARCOS A.

Coalescence of Nanoclusters Analyzed by Well-Tempered Metadynamics. Comparison with Straightforward Molecular Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2017 vol. 13 p. 3874 - 3880

CHAUQUE, S.; OLIVA, F.Y.; VISINTIN, A.; BARRACO, D.; LEIVA, E.P.M.; CÁMARA, O.R.

Lithium titanate as anode material for lithium ion batteries: Synthesis, post-treatment and its electrochemical response

JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print); Año: 2017 vol. 799 p. 142 - 155

STUTZ, G.E.; OTERO, M.; CEPPI, S.A.; ROBLEDO, C.B.; LUQUE, G.; LEIVA, E.; BARRACO DÍAZ, D.E.

Intercalation stage dependence of core electronic excitations in Li-intercalated graphite from inelastic X-ray scattering

APPLIED PHYSICS LETTERS; Año: 2017 vol. 110

OTERO, M.; SIGAL, A.; PERASSI, E.M.; BARRACO, D.; LEIVA, E.P.M.

Statistical mechanical modeling of the transition Stage II → Stage I of Li-ion storage in graphite. A priori vs induced heterogeneity

ELECTROCHIMICA ACTA; Año: 2017 vol. 245 p. 569 - 574

GAVILÁN ARRIAZU, E. M.; LÓPEZ DE MISHIMA, B. A.; OVIEDO, O. A.; LEIVA, E. P. M.; PINTO, O. A.

Criticality of the phase transition on stage two in a lattice-gas model of a graphite anode in a lithium-ion battery

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2017 vol. 19 p. 23138 - 23145

JUÁREZ, M.F.; ÁVILA, M.; RUDERMAN, A.; SANTOS, E.; LEIVA, E.P.M.; OVIEDO, O.A.

Hydrogen Evolution Reaction on Nanostructures Electrodes—a Scenario on Stepped Silver Surfaces

Electrocatalysis; Año: 2017 vol. 8 p. 587 - 593

FARIGLIANO, LUCAS M.; PAZ, SERGIO A.; LEIVA, EZEQUIEL P. M.; VILLARREAL, MARCOS A.

Coalescence of Nanoclusters Analyzed by Well-Tempered Metadynamics. Comparison with Straightforward Molecular Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2017 vol. 13 p. 3874 - 3880

E M PERASS; E.P.M. LEIVA

A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite

ELECTROCHEMISTRY COMMUNICATIONS; Lugar: Amsterdam; Año: 2016 vol. 65 p. 48 - 52

E M PERASS; E.P.M. LEIVA

A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite

ELECTROCHEMISTRY COMMUNICATIONS; Lugar: Amsterdam; Año: 2016 vol. 65 p. 48 - 52

E M PERASS; E.P.M. LEIVA

A theoretical model to determine intercalation entropy and enthalpy: Application to lithium/graphite

ELECTROCHEMISTRY COMMUNICATIONS; Lugar: Amsterdam; Año: 2016 vol. 65 p. 48 - 52

M.L. URQUIZA TOLEDO; M. OTERO; G. LUQUE; D. E. BARRACO; E.P.M. LEIVA

First-Principles studies of silicon underpotential deposition on defective graphene and its relevance for lithium-ion battery materials

ELECTROCHIMICA ACTA; Lugar: Amsterdam; Año: 2016 vol. 208 p. 92 - 101

O.A. PINTO; B. LÓPEZ DE MISHIMA; E.P.M. LEIVA; O.A. OVIEDO

Monomolecular adsorption on nanoparticles with repulsive interactions: A Monte Carlo Study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2016 vol. 18 p. 14610 - 14618

G. LENER; P. VELEZ; E.P.M. LEIVA; L. MOYANO; R.E. CARBONIO

Chemical adsorption of phenacyl-1,2,3-benzotriazole over AMoO4 (010) scheelite surfaces. Structure and electronic properties

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2016 vol. 1090 p. 120 - 128

LEIVA, E.P.M.; PERASSI, E.; BARRACO, D.

Shedding light on the entropy change found for the transition stage II→stage I of Li-Ion storage in graphite

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2016 vol. 164 p. 6154 - 6157

LENER, GERMAN; VÉLEZ, PATRICIO; LEIVA, EZEQUIEL P.M.; MOYANO, E. LAURA; CARBONIO, RAÚL. E.

Chemical adsorption of phenacyl-1,2,3-benzotriazole over AMoO4 (010) scheelite surfaces. Structure and electronic properties

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2016 vol. 1090 p. 120 - 128

M.L. URQUIZA TOLEDO; M. OTERO; G. LUQUE; D. E. BARRACO; E.P.M. LEIVA

First-Principles studies of silicon underpotential deposition on defective graphene and its relevance for lithium-ion battery materials

ELECTROCHIMICA ACTA; Lugar: Amsterdam; Año: 2016 vol. 208 p. 92 - 101

O.A. PINTO; B. LÓPEZ DE MISHIMA; E.P.M. LEIVA; O.A. OVIEDO

Monomolecular adsorption on nanoparticles with repulsive interactions: A Monte Carlo Study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2016 vol. 18 p. 14610 - 14618

G. LENER; P. VELEZ; E.P.M. LEIVA; L. MOYANO; R.E. CARBONIO

Chemical adsorption of phenacyl-1,2,3-benzotriazole over AMoO4 (010) scheelite surfaces. Structure and electronic properties

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2016 vol. 1090 p. 120 - 128

LEIVA, E.P.M.; PERASSI, E.; BARRACO, D.

Shedding light on the entropy change found for the transition stage II→stage I of Li-Ion storage in graphite

JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2016 vol. 164 p. 6154 - 6157

LENER, GERMAN; VÉLEZ, PATRICIO; LEIVA, EZEQUIEL P.M.; MOYANO, E. LAURA; CARBONIO, RAÚL. E.

Chemical adsorption of phenacyl-1,2,3-benzotriazole over AMoO4 (010) scheelite surfaces. Structure and electronic properties

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2016 vol. 1090 p. 120 - 128

M. OTERO; G. LENER; J. TRINCAVELLI; M. S. NAZZARRO; O. FURLONG; ,E.P.M. LEIVA

New kinetic insight into the spontaneous oxidation process of lithiumin air by EPMA

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 383 p. 64 - 70

M. OTERO; G. LENER; J. TRINCAVELLI; M. S. NAZZARRO; O. FURLONG; ,E.P.M. LEIVA

New kinetic insight into the spontaneous oxidation process of lithiumin air by EPMA

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 383 p. 64 - 70

M. OTERO; G. LENER; J. TRINCAVELLI; M. S. NAZZARRO; O. FURLONG; ,E.P.M. LEIVA

New kinetic insight into the spontaneous oxidation process of lithiumin air by EPMA

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 383 p. 64 - 70

WILDI, CHRISTOPHER; CABELLO, GEMA; ZOLOFF MICHOFF, MARTÍN E.; VÉLEZ, PATRICIO; LEIVA, EZEQUIEL P. M.; CALVENTE, JUAN JOSÉ; ANDREU, RAFAEL; CUESTA, ANGEL

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2016 vol. 120 p. 15586 - 15592

EUTI, ESTEBAN M.; VÉLEZ-ROMERO, PATRICIO; LEIVA, EZEQUIEL P. M.; MACAGNO, VICENTE A.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, E. MARTÍN; COMETTO, FERNANDO P.

The Role of Tris(2-carboxyethyl)phosphine Reducing Agent in the Controlled Formation of α,ω-Alkanedithiols Monolayers on Au(111) with Monocoordinated and Bicoordinated Configurations

LANGMUIR; Año: 2016 vol. 32 p. 9428 - 9436

WILDI, CHRISTOPHER; CABELLO, GEMA; ZOLOFF MICHOFF, MARTÍN E.; VÉLEZ, PATRICIO; LEIVA, EZEQUIEL P. M.; CALVENTE, JUAN JOSÉ; ANDREU, RAFAEL; CUESTA, ANGEL

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2016 vol. 120 p. 15586 - 15592

EUTI, ESTEBAN M.; VÉLEZ-ROMERO, PATRICIO; LEIVA, EZEQUIEL P. M.; MACAGNO, VICENTE A.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, E. MARTÍN; COMETTO, FERNANDO P.

The Role of Tris(2-carboxyethyl)phosphine Reducing Agent in the Controlled Formation of α,ω-Alkanedithiols Monolayers on Au(111) with Monocoordinated and Bicoordinated Configurations

LANGMUIR; Año: 2016 vol. 32 p. 9428 - 9436

WILDI, CHRISTOPHER; CABELLO, GEMA; ZOLOFF MICHOFF, MARTÍN E.; VÉLEZ, PATRICIO; LEIVA, EZEQUIEL P. M.; CALVENTE, JUAN JOSÉ; ANDREU, RAFAEL; CUESTA, ANGEL

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2016 vol. 120 p. 15586 - 15592

EUTI, ESTEBAN M.; VÉLEZ-ROMERO, PATRICIO; LEIVA, EZEQUIEL P. M.; MACAGNO, VICENTE A.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, E. MARTÍN; COMETTO, FERNANDO P.

The Role of Tris(2-carboxyethyl)phosphine Reducing Agent in the Controlled Formation of α,ω-Alkanedithiols Monolayers on Au(111) with Monocoordinated and Bicoordinated Configurations

LANGMUIR; Año: 2016 vol. 32 p. 9428 - 9436

C. F. NARAMBUENA; E.P.M. LEIVA; E. PÉREZ

Counterion condensation on polyelectrolyte chains adsorbed on charged surfaces

Lugar: Amsterdam; Año: 2015 vol. 487 p. 49 - 57

GIMENEZ, MC; REINAUDI, L; E.P.M. LEIVA

Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2015 vol. 143 p. 244702 - 244702

GIMENEZ, MC; REINAUDI, L; E.P.M. LEIVA

Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2015 vol. 143 p. 244702 - 244702

M. E. ZOLOFF MICHOFF; E. CASTILLO; E.P.M. LEIVA

Mechanical Effects on the Electronic Properties of a Biphenyl-Based Molecular Switch

Lugar: Washington; Año: 2015 vol. 119 p. 5090 - 5097

A. SIGAL; M. CIOCCALE; C.R. RODRIGUEZ; E.P.M. LEIVA

Study of the natural resource and economic feasibility of the production and delivery of wind hydrogen in the province of Córdoba, Argentina

Lugar: Amsterdam; Año: 2015 vol. 40 p. 4413 - 4425

N. B. ESTEVES; A. SIGAL; E.P.M. LEIVA; C.R. RODRÍGUEZ; F.S.A. CAVALCANTE; L.C. DE LIMA

Wind and solar hydrogen for the potential production of ammonia in the state of Ceará ? Brazil

Lugar: Amsterdam; Año: 2015 vol. 40 p. 9917 - 9923

M. ZOLOFF MICHOF; E.P.M. LEIVA

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 120 p. 15586 - 15592

M. E. ZOLOFF MICHOFF; E. CASTILLO; E.P.M. LEIVA

Mechanical Effects on the Electronic Properties of a Biphenyl-Based Molecular Switch

Lugar: Washington; Año: 2015 vol. 119 p. 5090 - 5097

A. SIGAL; M. CIOCCALE; C.R. RODRIGUEZ; E.P.M. LEIVA

Study of the natural resource and economic feasibility of the production and delivery of wind hydrogen in the province of Córdoba, Argentina

Lugar: Amsterdam; Año: 2015 vol. 40 p. 4413 - 4425

N. B. ESTEVES; A. SIGAL; E.P.M. LEIVA; C.R. RODRÍGUEZ; F.S.A. CAVALCANTE; L.C. DE LIMA

Wind and solar hydrogen for the potential production of ammonia in the state of Ceará ? Brazil

Lugar: Amsterdam; Año: 2015 vol. 40 p. 9917 - 9923

M. ZOLOFF MICHOF; E.P.M. LEIVA

Super-Nernstian Shifts of Interfacial Proton-Coupled Electron Transfers: Origin and Effect of Noncovalent Interactions

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 120 p. 15586 - 15592

S. A. PAZ; C NARAMBUENA, E.P.M. LEIVA

Time Recovery for a Complex Process Using Accelerated Dynamics

Lugar: Washington; Año: 2015 vol. 11 p. 1725 - 1734

C. ROBLEDO; M. OTERO; G. LUQUE; O. CÁMARA; M. I. ROJAS; E. P. M. LEIVA

First-principles studies of lithium storage in reduced graphite oxide

Lugar: Amsterdam; Año: 2014 vol. 140 p. 232 - 237

O.A. OVIEDO; D. E. BARRACO; E. P. M. LEIVA

Comment on ?Surface thermodynamics reconsidered. Derivation of the Gokhshtein relations from the Gibbs potential; and a new approach to surface stress? by Stephen Fletcher

Lugar: Amsterdam; Año: 2014 vol. 18 p. 2837 - 2839

O.A. OVIEDO; D. E. BARRACO; E. P. M. LEIVA

Comment on ?Surface thermodynamics reconsidered. Derivation of the Gokhshtein relations from the Gibbs potential; and a new approach to surface stress? by Stephen Fletcher

Lugar: Amsterdam; Año: 2014 vol. 18 p. 2837 - 2839

C. ROBLEDO; M.I. ROJAS; O. CÁMARA; E.P.M. LEIVA

First-principles studies concerning optimization of hydrogen storage in nanoporous reduced graphite oxide

Lugar: Amsterdam; Año: 2014 vol. 39 p. 4396 - 4403

C. ROBLEDO; M.I. ROJAS; O. CÁMARA; E.P.M. LEIVA

First-principles studies concerning optimization of hydrogen storage in nanoporous reduced graphite oxide

Lugar: Amsterdam; Año: 2014 vol. 39 p. 4396 - 4403

GEMA CABELLO; C.F.NARAMBUENA, E.P.M. LEIVA; C GUTIERREZ; A. CUESTA

Non-covalent interactions at electrochemical interfaces: one model fits all?

Lugar: CAMBRIDGE; Año: 2014 vol. 16 p. 14281 - 14286

C. ROBLEDO; J.E. THOMAS; G. LUQUE; E. P. M. LEIVA; O. E. CÁMARA; D. E. BARRACO; A. VISINTÍN

An experimental and theoretical approach on the effect of presence of oxygen in milled graphite as lithium storage material

Lugar: Amsterdam; Año: 2014 vol. 140 p. 160 - 167

GEMA CABELLO; C.F.NARAMBUENA, E.P.M. LEIVA; C GUTIERREZ; A. CUESTA

Non-covalent interactions at electrochemical interfaces: one model fits all?

Lugar: CAMBRIDGE; Año: 2014 vol. 16 p. 14281 - 14286

S. A. PAZ; E. P.M. LEIVA

Unveiling the mechanism of core?shell formation by counting the relative occurrence of microstates

Lugar: Amsterdam; Año: 2014 vol. 595 p. 87 - 90

A. SIGAL; M.A. VILLARREAL; M. ROJAS; E.P.M. LEIVA

A new model for the prediction of oxygen interference in hydrogen storage systems

Lugar: Amsterdam; Año: 2014 vol. 39 p. 5899 - 5905

O. A. OVIEDO; P. VÉLEZ; MACAGNO, VICENTE ANTONIO; E.P. M. LEIVA

Underpotential deposition: From planar surfaces to nanoparticles

Lugar: Amsterdam; Año: 2014 vol. 631 p. 23 - 34

L. FARIGLIANO; O. A. OVIEDO; M.A. VILLARREAL; E.P.M. LEIVA

New Approach for the Calculation on the Entropic and Free EnergyContributions to Underpotential Deposition

ECS Transactions; Lugar: Pennington New Jersey 08534-2839 ; Año: 2014 vol. 58 p. 3 - 20

S. CHAUQUE; C. ROBLEDO; E.P.M. LEIVA; F. OLIVA; O.R. CÁMARA

Comparative Study of Different Alkali (Na, Li) Titanate Substrates as Active Materials for Anodes of Lithium - Ion Batteries

ECS Transactions; Año: 2014 vol. 63 p. 113 - 118

S. A. PAZ; E. P.M. LEIVA

Unveiling the mechanism of core?shell formation by counting the relative occurrence of microstates

Lugar: Amsterdam; Año: 2014 vol. 595 p. 87 - 90

A. SIGAL; M.A. VILLARREAL; M. ROJAS; E.P.M. LEIVA

A new model for the prediction of oxygen interference in hydrogen storage systems

Lugar: Amsterdam; Año: 2014 vol. 39 p. 5899 - 5905

A. SIGAL; C.R. RODRIGUEZ; E. P.M. LEIVA

Assessment of the potential for hydrogen production from renewable resources in Argentina

Lugar: Amsterdam; Año: 2014 vol. 39 p. 8204 - 8214

A. SIGAL; C.R. RODRIGUEZ; E. P.M. LEIVA

Assessment of the potential for hydrogen production from renewable resources in Argentina

Lugar: Amsterdam; Año: 2014 vol. 39 p. 8204 - 8214

G. LUQUE; M.I. ROJAS; E.P.M. LEIVA

Curvature effect in the longitudinal unzipping carbon nanotubes: A DFT study

Lugar: Berlin; Año: 2013 vol. 17 p. 1189 - 1200

C. ROBLEDO; M. OTERO; G. LUQUE; O. CÁMARA; M. I. ROJAS; E. P. M. LEIVA

First-principles studies of lithium storage in reduced graphite oxide

Lugar: Amsterdam; Año: 2013 vol. 140 p. 232 - 237

YI-MIN WEI; JING-HONG LIANG; ZHAO-BIN CHEN; XIAO-SHUN ZHOU; BING-WEI MAO; OSCAR A. OVIEDO; EZEQUIEL P. M. LEIVA

Stretching single atom contacts at multiple subatomic step-length

Lugar: CAMBRIDGE; Año: 2013 vol. 15 p. 12459 - 12465

MARTIN E. ZOLOFF MICHOFF; E. CASTILLO; E.P.M. LEIVA

A Reversible Molecular Switch Based on the Biphenyl Structure

Lugar: Washington; Año: 2013 vol. 117 p. 25724 - 25732

MARTIN E. ZOLOFF MICHOFF; E. CASTILLO; E.P.M. LEIVA

A Reversible Molecular Switch Based on the Biphenyl Structure

Lugar: Washington; Año: 2013 vol. 117 p. 25724 - 25732

O.A. PINTO; B. LÓPEZ DE MISHIMA; M. DÁVILA; A. J. RAMIREZ-PASTOR; E.P.M. LEIVA; O. A. OVIEDO

Computer simulation and detailed mean-field approximation applied to adsorption on nanoparticles

Año: 2013 vol. 88 p. 62407 - 62407

S. CHAUQUE; C. ROBLEDO; E.P.M. LEIVA; F. OLIVA; O.R. CÁMARA

Comparative Study of Different Alkali (Na, Li) Titanate Substrates as Active Materials for Anodes of Lithium - Ion Batteries

ECS Transactions; Año: 2013

O.A. PINTO; B. LÓPEZ DE MISHIMA; M. DÁVILA; A. J. RAMIREZ-PASTOR; E.P.M. LEIVA; O. A. OVIEDO

Computer simulation and detailed mean-field approximation applied to adsorption on nanoparticles

Año: 2013 vol. 88 p. 62407 - 62407

A. SIGAL; C.R. RODRIGUEZ; E. P.M. LEIVA

Assessment of the potential for hydrogen production from renewable resources in Argentina

Lugar: Amsterdam; Año: 2013 vol. 39 p. 8204 - 8214

C. ROBLEDO; J.E. THOMAS; G. LUQUE; E. P. M. LEIVA; O. E. CÁMARA; D. E. BARRACO; A. VISINTÍN

An experimental and theoretical approach on the effect of presence of oxygen in milled graphite as lithium storage material

Lugar: Amsterdam; Año: 2013 vol. 140 p. 160 - 167

S. CHAUQUE; C. ROBLEDO; E.P.M. LEIVA; F. OLIVA; O.R. CÁMARA

Comparative Study of Different Alkali (Na, Li) Titanate Substrates as Active Materials for Anodes of Lithium - Ion Batteries

ECS Transactions; Año: 2013

S. A. PAZ; M. E. ZOLOFF MICHOFF; CHRISTIAN NEGRE; J.A. OLMOS ASAR; M. M. MARISCAL; CRISTIAN SANCHEZ; E.P.M. LEIVA

Anchoring sites to the STM tip can explain multiple peaks in single molecule conductance histograms

Lugar: CAMBRIDGE; Año: 2013 vol. 15 p. 1526 - 1531

O.A. PINTO; B. LÓPEZ DE MISHIMA; E.P.M. LEIVA; O. A. OVIEDO

Computer simulation of adsorption on nanoparticles: The case of attractive interactions

Lugar: New York; Año: 2012 vol. 86 p. 61602 - 61602

S. A. PAZ; M. E. ZOLOFF MICHOFF; CHRISTIAN NEGRE; J.A. OLMOS ASAR; M. M. MARISCAL; CRISTIAN SANCHEZ; EZEQUIEL P. M. LEIVA

Anchoring sites to the STM tip can explain multiple peaks in single molecule conductance histograms

Lugar: CAMBRIDGE; Año: 2012

VILLARREAL, MARCOS; O. A. OVIEDO; E.P.M. LEIVA

A Straightforward Approach for the Determination of the Maximum Time Step for the Simulation of Nanometric Metallic Systems

Lugar: Washington; Año: 2012 vol. 8 p. 1744 - 1749

O.A. OVIEDO; E.P.M. LEIVA; M. M. MARISCAL

On the selective decoration of facets in metallic nanoparticles

Año: 2012 vol. 27 p. 1777 - 1786

PATRICIO VELEZ; A. CUESTA; E.P.M. LEIVA; MACAGNO, VICENTE ANTONIO

The underpotential deposition that should not be: Cu(1×1) on Au(111)

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 57

PATRICIO VELEZ; A. CUESTA; E.P.M. LEIVA; MACAGNO, VICENTE ANTONIO

The underpotential deposition that should not be: Cu(1×1) on Au(111)

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 57

PATRICIO VELEZ; A. CUESTA; E.P.M. LEIVA; MACAGNO, VICENTE ANTONIO

The underpotential deposition that should not be: Cu(1×1) on Au(111)

Lugar: Amsterdam; Año: 2012 vol. 25 p. 54 - 57

O. A. OVIEDO; L. REINAUDI; E. P. M. LEIVA

The limits of underpotential deposition in the nanoscale

Lugar: Amsterdam; Año: 2012 vol. 21 p. 14 - 17

O.A. OVIEDO; L. REINAUDI; M. M. MARISCAL; E. P. M. LEIVA

Thermodynamic stability of electrochemically decorated Au–Pd core@shell nanoparticles

Lugar: Amsterdam; Año: 2012 vol. 76 p. 424 - 429

M.E. MARIANI; M.A. VILLARREAL; F. CHEUNG; E.P.M. LEIVA; R.R. MADOERY; G.D FIDELIO

In silico and in vitro characterization of phospholipase A2 isoforms from soybean (Glycine max)

Lugar: Paris; Año: 2012 vol. 94 p. 2608 - 2619

MARIA ESCUDERO ESCRIBANO; GERMAN SOLDANO; PAOLA QUAINO; MARTIN E. ZOLOFF MICHOFF; EZEQUIEL P. M. LEIVA; WOLFGANG SCHMICKLER; ANGEL CUESTA

Cyanide-modified Pt(111): Structure, stability and hydrogen adsorption

Lugar: Amsterdam; Año: 2012 vol. 82 p. 524 - 533

S. A. PAZ; M. E. ZOLOFF MICHOFF; CHRISTIAN NEGRE; J.A. OLMOS ASAR; M. M. MARISCAL; CRISTIAN SANCHEZ; E. P. M. LEIVA

Configurational Behavior and Conductance of Alkanedithiol Molecular Wires from Accelerated Dynamics Simulations

Lugar: Washington; Año: 2012 vol. 11 p. 4539 - 4545

M.E. MARIANI; M.A. VILLARREAL; F. CHEUNG; E.P.M. LEIVA; R.R. MADOERY; G.D FIDELIO

In silico and in vitro characterization of phospholipase A2 isoforms from soybean (Glycine max)

Lugar: Paris; Año: 2012 vol. 94 p. 2608 - 2619

MARIA ESCUDERO ESCRIBANO; GERMAN SOLDANO; PAOLA QUAINO; MARTIN E. ZOLOFF MICHOFF; EZEQUIEL P. M. LEIVA; WOLFGANG SCHMICKLER; ANGEL CUESTA

Cyanide-modified Pt(111): Structure, stability and hydrogen adsorption

Lugar: Amsterdam; Año: 2012 vol. 82 p. 524 - 533

MARIA ESCUDERO ESCRIBANO; GERMAN SOLDANO; PAOLA QUAINO; MARTIN E. ZOLOFF MICHOFF; EZEQUIEL P. M. LEIVA; WOLFGANG SCHMICKLER; ANGEL CUESTA

Cyanide-modified Pt(111): Structure, stability and hydrogen adsorption

Lugar: Amsterdam; Año: 2012 vol. 82 p. 524 - 533

MARIA ESCUDERO ESCRIBANO; GERMAN SOLDANO; PAOLA QUAINO; MARTIN E. ZOLOFF MICHOFF; EZEQUIEL P. M. LEIVA; WOLFGANG SCHMICKLER; ANGEL CUESTA

Cyanide-modified Pt(111): Structure, stability and hydrogen adsorption

Lugar: Amsterdam; Año: 2012 vol. 82 p. 524 - 533

O. A. OVIEDO; CHRISTIAN NEGRE; M. M. MARISCAL; SANCHEZ, CRISTIÁN GABRIEL; E.P.M. LEIVA

Underpotential deposition on free nanoparticles: Its meaning and measurement

Año: 2011 vol. 16 p. 1 - 5

EZEQUIEL LEIVA; DARÍO ESTRÍN

Química computacional-Simulaciones matemáticas del comportamiento de átomos y moléculas

Lugar: Buenos Aires; Año: 2011 vol. 21 p. 50 - 54

A. SIGAL; M. ROJAS; E.P.M. LEIVA

Interferents for hydrogen storage on a graphene sheet decorated with nickel: A DFT study

Lugar: Amsterdam; Año: 2011 vol. 36 p. 3537 - 3546

A. SIGAL; M. ROJAS; E.P.M. LEIVA

Is Hydrogen Storage Possible in Metal-Doped Graphite 2D Systems in Conditions Found on Earth?

Año: 2011 vol. 107 p. 1 - 4

MARÍA ESCUDERO ESCRIBANO; MARTÍN E. ZOLOFF MICHOFF; EZEQUIEL P. M. LEIVA; NENAD M. MARKOVIć; CLAUDIO GUTIÉRREZ; ÁNGEL CUESTA

Quantitative Study of Non–Covalent Interactions at the Electrode–Electrolyte Interface Using Cyanide-Modified Pt(111) Electrodes

Año: 2011 vol. 12 p. 2230 - 2234

S.A. PAZ; E.P.M. LEIVA; J. JELLINEK; M. M. MARISCAL

Properties of rotating nanoalloys formed by cluster collision:A computer simulation study

Lugar: Melville; Año: 2011 vol. 134 p. 94701 - 94701

S.A. PAZ; E.P.M. LEIVA; J. JELLINEK; M. M. MARISCAL

Properties of rotating nanoalloys formed by cluster collision:A computer simulation study

Lugar: Melville; Año: 2011 vol. 134 p. 94701 - 94701

GIMENEZ, MC; A. J. RAMIREZ-PASTOR; E.P.M. LEIVA

A model for underpotential deposition in the presence of anions

Lugar: Melville; Año: 2010 vol. 132 p. 184703 - 184703

PATRICIO VELEZ; S.A. DASSIE; ,E.P.M. LEIVA

Role of metal contacts in the mechanical properties of molecular nanojunctions:Comparative ab initio study of Au/1,8-octanedithiol and Au/4,4-bipyridine

Año: 2010 vol. 81 p. 235435 - 235435

M. ROJAS; M. M. MARISCAL; E.P.M. LEIVA

Computer simulation of reversible electrochemical catalyst promoter dosing

Lugar: Amsterdam; Año: 2010 vol. 55 p. 8673 - 8679

M. ROJAS; M. M. MARISCAL; E.P.M. LEIVA

Computer simulation of reversible electrochemical catalyst promoter dosing

Lugar: Amsterdam; Año: 2010 vol. 55 p. 8673 - 8679

P. VÉLEZ; S. A. DASSIE; E. P. M. LEIVA

A kinetic model for the long term stability of contaminated monoatomic nanowires

Año: 2010 vol. 81 p. 1 - 12

G. LUQUE; M. ROJAS; E.P.M. LEIVA

The origin of the catalysis of hydrogen peroxide reduction by functionalized graphene surfaces: A density functional theory study

Lugar: Amsterdam; Año: 2010 vol. 56 p. 523 - 530

G. LUQUE; M. ROJAS; E.P.M. LEIVA

The origin of the catalysis of hydrogen peroxide reduction by functionalized graphene surfaces: A density functional theory study

Lugar: Amsterdam; Año: 2010 vol. 56 p. 523 - 530

C. F. NARAMBUENA; E.P.M. LEIVA; M. CHAVEZ PAEZ ; E. PÉREZ

Effect of chain stiffness on the morphology of polyelectrolyte complexes. A Monte Carlo simulation study

Año: 2010 vol. 51 p. 3293 - 3302

O. A. OVIEDO; M. M. MARISCAL; E. P. M. LEIVA

On the Occurrence of Stable and Metastable States in Metallic Core-shell Nanoparticles

Año: 2010 vol. 12 p. 4580 - 4585

O. A. OVIEDO; M. M. MARISCAL; E.P.M. LEIVA

Theoretical studies of preparation of core–shell nanoparticles by electrochemical metal deposition

Lugar: Amsterdam; Año: 2010 vol. 55 p. 8244 - 8251

C.R. RODRIGUEZ; M. RISO; G. JIMENEZ YOB; R. OTTOGALLI; R. SANTA CRUZ; S. AISA; G. JEANDREVIN; E.P.M. LEIVA

Analysis of the potential for hydrogen production in the province of Co´ rdoba, Argentina, from wind resources

Año: 2010 vol. 35 p. 5952 - 5956

N.B. LUQUE; L. REINAUDI; P. SERRA; E.P.M. LEIVA

Electrochemical deposition on surface nanometric defects: Thermodynamics and Grand Canonical Monte Carlo Simulations

Año: 2009 vol. 54 p. 3011 - 3019

M. E. ZOLOFF MICHOFF; P. VELEZ; E. P. M. LEIVA

Substituent Effect on the Mechanical Properties of Au-N Nanojunctions

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington DC; Año: 2009 vol. 113 p. 3850 - 3854

A. C. FRANK; E. P. M. LEIVA; P. T. A. SUMODJO

A Monte Carlo Model for the Simulation of the Electrodeposition of CoNi Alloys onto Glassy Carbon

ECS Transactions; Año: 2009 vol. 25 p. 53 - 63

J.A. OLMOS ASAR; M.M. MARISCAL; E.P.M. LEIVA

Stochastic model for spontaneous formation of molecular wires

Año: 2009 vol. 54 p. 2977 - 2982

J.A. OLMOS ASAR; E.P.M. LEIVA; M.M. MARISCAL

The behavior of single-molecule junctions predicted by atomistic simulations

Año: 2009 vol. 11 p. 987 - 989

O. A. OVIEDO; LEIVA, EPM; M. M. MARISCAL

Diffusion mechanisms taking place eat the early stages of cobalt deposition on Au(111)

Lugar: London; Año: 2008 vol. 20 p. 265010 - 265010

P. VÉLEZ; S. A. DASSIE; E. P. M. LEIVA

When do nanowires break? A model for the theoretical study of the long-term stability of monoatomic nanowires

Lugar: Amsterdam; Año: 2008 vol. 460 p. 261 - 265

C. F. NARAMBUENA; D. M. BELTRAMO; E. P.M. LEIVA

Polyelectrolyte adsorption on a charged surface. Free energy calculation from Monte Carlo simulations using Jarzynski equality

Año: 2008 vol. 41 p. 8267 - 8274

P. VÉLEZ; S. A. DASSIE; E. P. M. LEIVA

When do nanowires break? A model for the theoretical study of the long-term stability of monoatomic nanowires

Lugar: Amsterdam; Año: 2008 vol. 460 p. 261 - 265

E.P.M. LEIVA; C. VÁZQUEZ; M.I. ROJAS; M.M. MARISCAL

Computer simulation of the effective double layer occurring on a catalyst surface under electro-chemical promotion conditions

Año: 2008 vol. 38 p. 1065 - 1073

L. REINAUDI; R.E. CARBONIO; E.P.M. LEIVA

Improvement in determining the crystal structure of inorganic compounds using powder diffraction data

Año: 2008 vol. 23 p. 300 - 306

P. C.DOS SANTOS CLARO; M. F. CASTEZ; P. L. SCHILARDI; N. B. LUQUE; E. P. M. LEIVA; R. C. SALVAREZZA

Spontaneous Nanoripple Formation on Metallic Templates

ACS NANO; Año: 2008 vol. 2 p. 2531 - 2539

M. M. MARISCAL; N. A. OLDANI; S. A. DASSIE; E. P. M. LEIVA

Atomistic computer simulations on the generation of bimetallic nanoparticles

Lugar: London; Año: 2008 vol. 138 p. 69 - 104

O. A. OVIEDO; E. P. M. LEIVA; M. M. MARISCAL

Thermodynamic considerations and computer simulations on the formation of core-shell nanoparticles under electrochemical conditions

Lugar: London; Año: 2008 vol. 10 p. 3561 - 3568

E.P.M. LEIVA; C. VÁZQUEZ; M.I. ROJAS; M.M. MARISCAL

Computer simulation of the effective double layer occurring on a catalyst surface under electro-chemical promotion conditions

Año: 2008 vol. 38 p. 1065 - 1073

P. C.DOS SANTOS CLARO; M. F. CASTEZ; P. L. SCHILARDI; N. B. LUQUE; E. P. M. LEIVA; R. C. SALVAREZZA

Spontaneous Nanoripple Formation on Metallic Templates

ACS NANO; Año: 2008 vol. 2 p. 2531 - 2539

M. M. MARISCAL; N. A. OLDANI; S. A. DASSIE; E. P. M. LEIVA

Atomistic computer simulations on the generation of bimetallic nanoparticles

Lugar: London; Año: 2008 vol. 138 p. 69 - 104

O. A. OVIEDO; E. P. M. LEIVA; M. M. MARISCAL

Thermodynamic considerations and computer simulations on the formation of core-shell nanoparticles under electrochemical conditions

Lugar: London; Año: 2008 vol. 10 p. 3561 - 3568

E.P.M. LEIVA; C. VÁZQUEZ; M.I. ROJAS; M.M. MARISCAL

Computer simulation of the effective double layer occurring on a catalyst surface under electro-chemical promotion conditions

Año: 2008 vol. 38 p. 1065 - 1073

P. C.DOS SANTOS CLARO; M. F. CASTEZ; P. L. SCHILARDI; N. B. LUQUE; E. P. M. LEIVA; R. C. SALVAREZZA

Spontaneous Nanoripple Formation on Metallic Templates

ACS NANO; Año: 2008 vol. 2 p. 2531 - 2539

M. M. MARISCAL; N. A. OLDANI; S. A. DASSIE; E. P. M. LEIVA

Atomistic computer simulations on the generation of bimetallic nanoparticles

Lugar: London; Año: 2008 vol. 138 p. 69 - 104

O. A. OVIEDO; E. P. M. LEIVA; M. M. MARISCAL

Thermodynamic considerations and computer simulations on the formation of core-shell nanoparticles under electrochemical conditions

Lugar: London; Año: 2008 vol. 10 p. 3561 - 3568

E.P.M. LEIVA

On the work function changes and other properties of the gas-exposed

Lugar: Amsterdam; Año: 2007 vol. 44 p. 347 - 354

C.F. NARAMBUENA, D. M. BELTRAMO AND E. P.M. LEIVA

Polyelectrolyte adsorption on a charged surface. A study by Monte Carlo simulations

Lugar: Washington; Año: 2007 vol. 40 p. 7336 - 7342

M. I. ROJAS AND E. P. M. LEIVA

Density functional theory study of a graphene sheet modified with titanium in contact with different adsorbates

Lugar: Maryland; Año: 2007 vol. 76 p. 1554151 - 1554158

M. MARISCAL, E. LEIVA, K. PÖTTING, W. SCHMICKLER

The structure of electrodeposits ?a computer simulation study

Lugar: Berlin; Año: 2007 vol. 87 p. 385 - 389

C.F. NARAMBUENA, D. M. BELTRAMO AND E. P.M. LEIVA

Polyelectrolyte adsorption on a charged surface. A study by Monte Carlo simulations

Lugar: Washington; Año: 2007 vol. 40 p. 7336 - 7342

M. I. ROJAS AND E. P. M. LEIVA

Density functional theory study of a graphene sheet modified with titanium in contact with different adsorbates

Lugar: Maryland; Año: 2007 vol. 76 p. 1554151 - 1554158

M.M.MARISCAL, E.P.M. LEIVA AND S.A. DASSIE

Computer simulation of electrochemical nanostructuring induced

Lugar: Amsterdam; Año: 2007 vol. 607 p. 10 - 16

M.M.MARISCAL, E.P.M. LEIVA AND S.A. DASSIE

Computer simulation of electrochemical nanostructuring induced

Lugar: Amsterdam; Año: 2007 vol. 607 p. 10 - 16

M.M.MARISCAL, E.P.M. LEIVA AND S.A. DASSIE

Computer simulation of electrochemical nanostructuring induced

Lugar: Amsterdam; Año: 2007 vol. 607 p. 10 - 16

M.C. GIMÉNEZ; A. J. RAMIREZ-PASTOR; E. P. M. LEIVA

Monte Carlo simulation of metal deposition on foreign substrates

Año: 2006 vol. 600 p. 4741 - 4751

O.A. OVIEDO; E.P.M. LEIVA; M.I. ROJAS

Energetic and entropic contributions to the underpotential/overpotential deposition shifts on single crystal surfaces from lattice dynamics

Año: 2006 vol. 51 p. 3526 - 3536

E.P.M. LEIVA; C.G. SÁNCHEZ; P. VÉLEZ; W. SCHMICKLER

Theory of electrochemical monoatomic nanowires

PHYS. REV. - B; Año: 2006 vol. 3542 p. 1 - 7

O. A. OVIEDO; C. E. MAYER; G. STAIKOV; E. P. M. LEIVA; W. J. LORENZ

Low-dimensional metallic nanostructures and their electrochemical relevance. Energetics and phenomenological approach

Año: 2006 vol. 600 p. 4475 - 4483

N. WILKE; S.A. DASSIE; E.P.M. LEIVA; B. MAGGIO

Externally applied electric fields on immiscible lipid monolayers: repulsion between condensed domains precludes domain migration.

Año: 2006 vol. 22 p. 9664 - 96707

O.A. OVIEDO; E.P.M. LEIVA; M.I. ROJAS

Energetic and entropic contributions to the underpotential/overpotential deposition shifts on single crystal surfaces from lattice dynamics

Año: 2006 vol. 51 p. 3526 - 3536

RODRIGO A IGLESIAS; EZEQUIEL PM LEIVA

Two-grain nanoindentation using the quasicontinuum method: 2D model approach

Lugar: The Boulevard, Langford Lane, Kidlington, Oxford OX5 1GB, U.K; Año: 2006 vol. 54 p. 2655 - 2664

P.C. DOS SANTOS CLARO; M. FONTICELLI; G. BENÍTEZ; O. AZZARONI; P. L. SCHILARDI; N.B. LUQUE; E. LEIVA; R.C. SALVAREZZA

Silver electrodeposition on nanostructured gold: from nanodots to nanoripples

Año: 2006 vol. 17 p. 3428 - 3435

O. A. OVIEDO, M.I. ROJAS, E.P.M. LEIVA

Off lattice Monte-Carlo simulations of low-dimensional surface defects and metal deposits on Pt(111).

Año: 2005 vol. 7 p. 472 - 476

M.M. MARISCAL, S.A. DASSIE AND E.P.M. LEIVA

Collision as a way of forming bimetallic nanoclusters of various structures and chemical compositions.

Lugar: Melville, NY, USA; Año: 2005 vol. 123 p. 1 - 5

O. A. OVIEDO, M.I. ROJAS, E.P.M. LEIVA

Off lattice Monte-Carlo simulations of low-dimensional surface defects and metal deposits on Pt(111).

Año: 2005 vol. 7 p. 472 - 476

C.F. NARAMBUENA, S.F. AUSAR, I.D. BIANCO, D.M. BELTRAMO AND E.P.M. LEIVA.

Aggregation of Casein Micelles by Interactions with Chitosans: A Study by Monte Carlo Simulations.

Año: 2005 vol. 53 p. 459 - 463

M.I. ROJAS, M.C. GIMÉNEZ, E.P.M. LEIVA

Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au.

Año: 2005 vol. 581 p. 109 - 114

NOELIA B. LUQUE AND EZEQUIEL P.M. LEIVA.

On the application of computer simulations to the study of electrochemical nanostructuring and surface phase formation.

Año: 2005 vol. 50 p. 3161 - 3178

P. VÉLEZ, S.A. DASSIE AND E.P.M. LEIVA

First Principles Calculations of Mechanical Properties of 4,4´-Bypyridine Attached to Au Nanowires.

Lugar: NEW YORK; Año: 2005 vol. 95 p. 455031 - 455034

S.F. AUSAR, I.D. BIANCO, L.F. CASTAGNA, R.V. ALASINO, C.F. NARAMBUENA, E.P.M. LEIVA AND D.M. BELTRAMO

Reversible Precipitation of Casein Micelles with a Cationic Hydroxyethylcellulose.

Año: 2005 vol. 53 p. 9031 - 9038

MARCELO MARISCAL, CLAUDIO F. NARAMBUENA, MARIO G. DEL PÓPOLO AND EZEQUIEL P.M. LEIVA

Effects of tip structure on the generation of metal clusters by an STM tip: a way to control the orientation of nanocrystallites?.

Año: 2005 vol. 16 p. 974 - 980

MARCELO MARISCAL, CLAUDIO F. NARAMBUENA, MARIO G. DEL PÓPOLO AND EZEQUIEL P.M. LEIVA

Effects of tip structure on the generation of metal clusters by an STM tip: a way to control the orientation of nanocrystallites?.

Año: 2005 vol. 16 p. 974 - 980

MARCELO MARISCAL, CLAUDIO F. NARAMBUENA, MARIO G. DEL PÓPOLO AND EZEQUIEL P.M. LEIVA

Effects of tip structure on the generation of metal clusters by an STM tip: a way to control the orientation of nanocrystallites?.

Año: 2005 vol. 16 p. 974 - 980

C.F. NARAMBUENA, S.F. AUSAR, I.D. BIANCO, D.M. BELTRAMO AND E.P.M. LEIVA.

Aggregation of Casein Micelles by Interactions with Chitosans: A Study by Monte Carlo Simulations.

Año: 2005 vol. 53 p. 459 - 463

M.I. ROJAS, M.C. GIMÉNEZ, E.P.M. LEIVA

Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au.

Año: 2005 vol. 581 p. 109 - 114

S.F. AUSAR, I.D. BIANCO, L.F. CASTAGNA, R.V. ALASINO, C.F. NARAMBUENA, E.P.M. LEIVA AND D.M. BELTRAMO

Reversible Precipitation of Casein Micelles with a Cationic Hydroxyethylcellulose.

Año: 2005 vol. 53 p. 9031 - 9038

MARIO G. DEL PÓPOLO, EZEQUIEL P. M. LEIVA, MARCELO MARISCAL AND WOLFGANG SCHMICKLER

On the generation of metal clusters with the electrochemical scanning tunneling microscope.

Año: 2005 vol. 597 p. 133 - 155

MARIO G. DEL PÓPOLO, EZEQUIEL P. M. LEIVA, MARCELO MARISCAL AND WOLFGANG SCHMICKLER

On the generation of metal clusters with the electrochemical scanning tunneling microscope.

Año: 2005 vol. 597 p. 133 - 155

MARIO G. DEL PÓPOLO, EZEQUIEL P. M. LEIVA, MARCELO MARISCAL AND WOLFGANG SCHMICKLER

On the generation of metal clusters with the electrochemical scanning tunneling microscope.

Año: 2005 vol. 597 p. 133 - 155

M.I. ROJAS, M. G. DEL PÓPOLO AND EZEQUIEL LEIVA

Monte Carlo simulation of properties of monolayers and metal islands adsorbed on metallic (111) surfaces.

LANGMUIR; Año: 2004 vol. 20 p. 4279 - 4288

NOELIA B. LUQUE, M.G. DEL PÓPOLO AND EZEQUIEL P.M. LEIVA

Monte Carlo simulation of cluster growth in surface defects induced by the tip of a scanning tunnellling microscope.

SURFACE SCIENCE; Año: 2004 vol. 571 p. 319 - 324

NOELIA B. LUQUE, M.G. DEL PÓPOLO AND EZEQUIEL P.M. LEIVA

Monte Carlo simulation of cluster growth in surface defects induced by the tip of a scanning tunnellling microscope.

SURFACE SCIENCE; Año: 2004 vol. 571 p. 319 - 324

ROJAS, MARIANA ISABEL; SANCHEZ, CRISTIÁN GABRIEL; DEL POPOLO, MARIO GABRIEL; LEIVA, EZEQUIEL PEDRO MARCOS; EZEQUIEL PEDRO M LEIVA

Erratum to: An embedded atom approach to underpotential deposition phenomena

SURFACE SCIENCE; Año: 2000 vol. 453 p. 225 - 228

SANCHEZ, C; DEL POPOLO, M; LEIVA, E; EZEQUIEL PEDRO M LEIVA

An embedded atom approach to underpotential deposition phenomena

SURFACE SCIENCE; Lugar: Amsterdam; Año: 1999 vol. 421 p. 59 - 72

LEHNERT, W; LEIVA, E; SCHMICKLER, W; SCHULTZE, JW; EZEQUIEL PEDRO M LEIVA

A simple method for calculating the corrugation of metal surfaces

CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 1999 vol. 247 p. 207 - 214

SANCHEZ, C; LEIVA, E; EZEQUIEL PEDRO M LEIVA

Cu underpotential deposition on Au(111)and Au(100)

ELECTROCHIMICA ACTA; Lugar: Newcastle Upon Tyne; Año: 1999 vol. 45 p. 691 - 697

GIMENEZ, MC; DEL POPOLO, M; LEIVA, E; EZEQUIEL PEDRO M LEIVA

MonteCarlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)

Lugar: Amsterdam; Año: 1999 vol. 45 p. 699 - 712

CARBONIO, RAÚL E; REINAUDI, LUIS; LEIVA, EPM; EZEQUIEL PEDRO M LEIVA

Inclusion of Symmetry for the Enhanced Determination of Crystalline Structures from Powder Diffraction Data using Simulated Annealing

CHEMICAL COMMUNICATIONS; Lugar: Cambridge; Año: 1998 vol. 2 p. 255 - 256

SANCHEZ, C; LEIVA, E; EZEQUIEL PEDRO M LEIVA

First principles calculations of monolayer compressibilities

ELECTROCHIMICA ACTA; Lugar: Newcastle Upon Tyne; Año: 1998 vol. 44 p. 1229 - 1236

REINAUDI, L; CARBONIO, RE; LEIVA, EPM; EZEQUIEL PEDRO M LEIVA

Inclusion of symmetry for the enhanced determination of crystalline structures from powder diffraction data using simulated annealing

Journal of the Chemical Society, Chemical Communications; Lugar: Cambridge; Año: 1998 vol. 2 p. 255 - 256

SCHMICKLER, W; LEIVA, E; EZEQUIEL PEDRO M LEIVA

A note on the surface stress and tension of solid metal electrodes

JOURNAL OF ELECTROANALYTICAL CHEMISTRY; Lugar: Amsterdam; Año: 1998 vol. 453 p. 61 - 67

SANCHEZ, C; LEIVA, E; EZEQUIEL PEDRO M LEIVA

Underpotential versus overpotential deposition

JOURNAL OF ELECTROANALYTICAL CHEMISTRY; Lugar: Amsterdam; Año: 1998 vol. 458 p. 183 - 189

ROJAS, MARIANA ISABEL; ESPLANDIU, MARÍA JOSÉ; AVALLE, LUCÍA BERNARDITA; LEIVA, EZEQUIEL PEDRO MARCOS; MACAGNO, VICENTE ANTONIO; EZEQUIEL PEDRO M LEIVA

The oxygen and chlorine evolution reactions at titanium oxide electrodes modified with platinum

ELECTROCHIMICA ACTA; Año: 1998 vol. 43 p. 1785 - 1794

EZEQUIEL LEIVA; T. IWASITA; E. HERRERO; J.M. FELIU

Effect of Adatoms in the Electrocatalysis of HCOOH Oxidation. A Theoretical Model

Lugar: Washington; Año: 1997 vol. 13 p. 6287 - 6293

ROJAS, MARIANA ISABEL; DASSIE, SERGIO ALBERTO; LEIVA, EZEQUIEL PEDRO MARCOS; EZEQUIEL PEDRO M LEIVA

Theoretical study about the adsorption of lead on (111), (100), (110)monocrystalline Surfaces of Gold.

Zeitschrift für Physicalische Chemie; Lugar: Munich; Año: 1994 vol. 185 p. 33 - 50

CAPKOB, RUBÉN DANILO; ROJAS, MARIANA ISABEL; LEIVA, EZEQUIEL PEDRO MARCOS; EZEQUIEL PEDRO M LEIVA

Estudio teórico de la adsorción de átomos de Pb y Au sobre superficies monocristalinas de Au.

Anales de la Asociación Física Argentina (ANALES AFA); Lugar: Tandil; Año: 1992 vol. 4 p. 297 - 300

ROJAS, MARIANA ISABEL; LEIVA, EZEQUIEL PEDRO MARCOS; EZEQUIEL PEDRO M LEIVA

A Jellium/point dipoles model for water adsorption on Ag(110)

Surface Science Letters; Lugar: Amsterdam; Año: 1990 vol. 227 p. 121 - 121

ROJAS, MI; DEL POPOLO, MG; LEIVA, EPM; EZEQUIEL PEDRO M LEIVA

Simulation Study of Pd submonolayer films on Au(hkl)and Pt(hkl)and their relationship to underpotential deposition

LANGMUIR; Lugar: Urbana; Año: 1965 p. 1 - 1

ROJAS, MI; DEL POPOLO, MG; LEIVA, EPM; EZEQUIEL PEDRO M LEIVA

Errata: An embedded atom approach to underpotential deposition phenomena. Surface Science 421 (1999)59

SURFACE SCIENCE; Lugar: New York; Año: 1965 p. 1 - 1