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1

A model for the surface structure of liquid mercury

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Journal of Electroanalytical Chemistry

Year:

1996

Language:

english

File:

PDF, 264 KB

english, 1996

2

Two-grain nanoindentation using the quasicontinuum method: Two-dimensional model approach

Rodrigo A. Iglesias, Ezequiel P.M. Leiva

Journal:

Acta Materialia

Year:

2006

Language:

english

File:

PDF, 1.70 MB

english, 2006

3

Computer simulation of electrochemical nanostructuring induced by supersaturation conditions

Marcelo M. Mariscal, Ezequiel P.M. Leiva, Sergio A. Dassie

Journal:

Journal of Electroanalytical Chemistry

Year:

2007

Language:

english

File:

PDF, 1.24 MB

english, 2007

4

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

Paz, S. Alexis, Zoloff Michoff, Martin E., Negre, Christian F. A., Olmos-Asar, Jimena A., Mariscal, Marcelo M., Sánchez, Cristián G., Leiva, Ezequiel P. M.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 2.35 MB

english, 2012

5

Polyelectrolyte Adsorption on a Charged Surface. Free Energy Calculation from Monte Carlo Simulations Using Jarzynski Equality

Narambuena, Claudio F., Beltramo, Dante M., Leiva, Ezequiel P. M.

Journal:

Year:

2008

Language:

english

File:

PDF, 516 KB

english, 2008

6

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

Mariscal, Marcelo M., Dassie, Sergio A., Leiva, Ezequiel P. M.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 731 KB

english, 2005

7

A Reversible Molecular Switch Based on the Biphenyl Structure

Michoff, Martin E. Zoloff, Castillo, M. Ezequiel, Leiva, Ezequiel P. M.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.79 MB

english, 2013

8

[Monographs in Electrochemistry] Underpotential Deposition || Experimental Techniques and Structure of the Underpotential Deposition Phase

Oviedo, Oscar Alejandro, Reinaudi, Luis, García, Silvana Graciela, Leiva, Ezequiel Pedro Marcos

Year:

2016

Language:

english

File:

PDF, 2.62 MB

english, 2016

9

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

Lener, German, Vélez, Patricio, Leiva, Ezequiel P.M., Moyano, E. Laura, Carbonio, Raúl. E.

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 2.69 MB

english, 2016

10

Moïse Haïssinsky: The Discoverer of Underpotential Deposition

Scholz, Fritz, Leiva, Ezequiel P. M.

Journal:

ChemElectroChem

Year:

2017

Language:

english

File:

PDF, 5.31 MB

english, 2017

11

Capacity fading model for a solid electrolyte interface with surface growth

Perassi, Eduardo M., Leiva, Ezequiel P.M.

Journal:

Electrochimica Acta

Year:

2019

Language:

english

File:

PDF, 914 KB

english, 2019

12

Über die Stabilität elektrochemisch erzeugter Nanocluster – eine Computersimulation

Mario G. Del Pópolo, Ezequiel P. M. Leiva, Wolfgang Schmickler

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 105 KB

german, 2001

13

On the Stability of Electrochemically Generated Nanoclusters—A Computer Simulation

Mario G. Del Pópolo, Ezequiel P. M. Leiva, Wolfgang Schmickler

Journal:

Angewandte Chemie International Edition

Year:

2001

Language:

english

File:

PDF, 106 KB

english, 2001

14

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

María Escudero-Escribano, Martín E. Zoloff Michoff, Prof. Ezequiel P. M. Leiva, Prof. Nenad M. Marković, Prof. Claudio Gutiérrez, Dr. Ángel Cuesta

Journal:

Year:

2011

Language:

english

File:

PDF, 574 KB

english, 2011

15

A model for the adsorption of a monolayer of a metal on a foreign metal substrate

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 437 KB

english, 1989

16

The lattice constant of adsorbed metal monolayers with incommensurate structure

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Electrochimica Acta

Year:

1995

Language:

english

File:

PDF, 485 KB

english, 1995

17

Electronic properties of a monolayer of lead deposited on a silver single crystal electrode

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Electrochimica Acta

Year:

1994

Language:

english

File:

PDF, 305 KB

english, 1994

18

The double-layer capacity of sp metals

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1986

Language:

english

File:

PDF, 360 KB

english, 1986

19

The double layer capacity of jellium with pseudopotentials

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Journal of Electroanalytical Chemistry and Interfacial Electrochemistry

Year:

1987

Language:

english

File:

PDF, 721 KB

english, 1987

20

Second harmonic generation at single crystal surfaces of metals in the vacuum and in a solution

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Surface Science Letters

Year:

1993

Language:

english

File:

PDF, 58 KB

english, 1993

21

Second harmonic generation and the microscopic structure of the metal-electrolyte interface

Ezequiel Leiva, Wolfgang Schmickler, Michael Urbakh

Journal:

Surface Science Letters

Year:

1993

Language:

english

File:

PDF, 67 KB

english, 1993

22

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

Noelia B. Luque, Ezequiel P.M. Leiva

Journal:

Electrochimica Acta

Year:

2005

Language:

english

File:

PDF, 1.13 MB

english, 2005

23

Electrochemical deposition on surface nanometric defects: Thermodynamics and grand canonical Monte Carlo simulations

Noelia B. Luque, Luis Reinaudi, Pablo Serra, Ezequiel P.M. Leiva

Journal:

Electrochimica Acta

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

24

Computer simulation of reversible electrochemical catalyst promoter dosing

Mariana I. Rojas, Marcelo M. Mariscal, Ezequiel P.M. Leiva

Journal:

Electrochimica Acta

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

25

First principles calculations of monolayer compressibilities

Cristián Sanchez, Ezequiel Leiva

Journal:

Electrochimica Acta

Year:

1998

Language:

english

File:

PDF, 515 KB

english, 1998

26

Embedded atom method study of Cu deposition on Ag(111)

Mario Del Pópolo, Ezequiel Leiva

Journal:

Journal of Electroanalytical Chemistry

Year:

1997

Language:

english

File:

PDF, 340 KB

english, 1997

27

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys Volume 20 ||

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 1.38 MB

english, 2013

28

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys Volume 3163 || Optical Properties of Metal Nanoclusters from an Atomistic Point of View

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 2.09 MB

english, 2013

29

New theories for the electric double layer at a metal/electrolyte solution interface

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Journal of Chemical Sciences

Year:

1986

Language:

english

File:

PDF, 1.31 MB

english, 1986

30

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys Volume 3973 || Thermodynamic Modeling of Metallic Nanoclusters

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 1.09 MB

english, 2013

31

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

Villarreal, Marcos A., Oviedo, Oscar A., Leiva, Ezequiel P. M.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 324 KB

english, 2012

32

Electron transfer through passive films: Role of localized electronic states

Ezequiel Leiva, Peter Meyer, Wolfgang Schmickler

Journal:

Corrosion Science

Year:

1989

Language:

english

File:

PDF, 579 KB

english, 1989

33

Electronic properties of a monolayer of thallium deposited on Ag(111)

Journal:

Surface Science

Year:

1995

Language:

english

File:

PDF, 553 KB

english, 1995

34

Work function calculation for thick metal slabs with local pseudopotentials

Luis Reinaudi, Mario Del Popolo, Ezequiel Leiva

Journal:

Surface Science

Year:

1997

Language:

english

File:

PDF, 443 KB

english, 1997

35

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Modelling Janus Nanoparticles

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

36

Second harmonic generation and the microscopic structure of the metal-electrolyte interface

Ezequiel Leiva, Wolfgang Schmickler, Michael Urbakh

Journal:

Surface Science

Year:

1993

Language:

english

File:

PDF, 456 KB

english, 1993

37

Second harmonic generation at single crystal surfaces of metals in the vacuum and in a solution

Ezequiel Leiva, Wolfgang Schmickler

Journal:

Surface Science

Year:

1993

Language:

english

File:

PDF, 515 KB

english, 1993

38

Facilitated alkali ion transfer at the water|1,2-dichloroethane interphase: ab initio calculations concerning alkaline metal cation–1,10-phenanthroline complexes

Cristián G Sánchez, Ezequiel P.M Leiva, Sergio A Dassie, Ana M Baruzzi

Journal:

Journal of Electroanalytical Chemistry

Year:

1998

Language:

english

File:

PDF, 294 KB

english, 1998

39

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

Mariani, María Elisa, Villarreal, Marcos Ariel, Cheung, Foo, Leiva, Ezequiel Pedro Marcos, Madoery, Ricardo Román, Fidelio, Gerardo Daniel

Journal:

Year:

2012

Language:

english

File:

PDF, 1.13 MB

english, 2012

40

Cyanide-modified Pt(1 1 1): Structure, stability and hydrogen adsorption

María Escudero-Escribano, Germán J. Soldano, Paola Quaino, Martín E. Zoloff Michoff, Ezequiel P.M. Leiva, Wolfgang Schmickler, Ángel Cuesta

Journal:

Electrochimica Acta

Year:

2012

Language:

english

File:

PDF, 2.65 MB

english, 2012

41

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Spin-Fluctuation Theory of Cluster Magnetism

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 841 KB

english, 2013

42

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Global Optimization of Free and Supported Clusters

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 699 KB

english, 2013

43

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Structure and Chemical Ordering in Nanoalloys: Toward Nanoalloy Phase Diagrams

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 1.28 MB

english, 2013

44

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

Reinaudi, Luis, Leiva, Ezequiel P. M.

Journal:

Chemical Communications

Year:

1998

Language:

english

File:

PDF, 54 KB

english, 1998

45

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Density-Functional Theory of Free and Supported Metal Nanoclusters and Nanoalloys

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 2.61 MB

english, 2013

46

[Nanostructure Science and Technology] Metal Clusters and Nanoalloys || Modeling of Protected Nanoparticles

Mariscal, Marcelo Mario, Oviedo, Oscar Alejandro, Leiva, Ezequiel Pedro Marcos

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

47

Stretching single atom contacts at multiple subatomic step-length

Wei, Yi-Min, Liang, Jing-Hong, Chen, Zhao-Bin, Zhou, Xiao-Shun, Mao, Bing-Wei, Oviedo, Oscar A., Leiva, Ezequiel P. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.10 MB

english, 2013

48

The basis for the formation of stable metal clusters on an electrode surface

P polo, Mario G Del, Leiva, Ezequiel P M, Mariscal, Marcelo, Schmickler, Wolfgang

Journal:

Year:

2003

Language:

english

File:

PDF, 775 KB

english, 2003

49

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

Leiva, Ezequiel, Iwasita, Teresa, Herrero, Enrique, Feliu, Juan M.

Journal:

Year:

1997

Language:

english

File:

PDF, 378 KB

english, 1997

50

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

Alexis Paz, S., Leiva, Ezequiel P.M.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 903 KB

english, 2014

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