Non-covalent interactions at electrochemical interfaces: one model fits all?
Cabello, Gema, Leiva, Ezequiel P. M, Gutiérrez, Claudio, Cuesta, Angel
Published in Physical chemistry chemical physics : PCCP (21.07.2014)
Published in Physical chemistry chemical physics : PCCP (21.07.2014)
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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
Published in Physical chemistry chemical physics : PCCP (14.08.2013)
Published in Physical chemistry chemical physics : PCCP (14.08.2013)
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Journal Article
Anchoring sites to the STM tip can explain multiple peaks in single molecule conductance histograms
Paz, S. Alexis, Michoff, Martin E. Zoloff, Negre, Christian F. A, Olmos-Asar, Jimena A, Mariscal, Marcelo M, Sánchez, Cristián G, Leiva, Ezequiel P. M
Published in Physical chemistry chemical physics : PCCP (07.02.2013)
Published in Physical chemistry chemical physics : PCCP (07.02.2013)
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Journal Article
Time Recovery for a Complex Process Using Accelerated Dynamics
Paz, S. Alexis, Leiva, Ezequiel P. M
Published in Journal of chemical theory and computation (14.04.2015)
Published in Journal of chemical theory and computation (14.04.2015)
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Journal Article
Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants
Gimenez, M Cecilia, Reinaudi, Luis, Leiva, Ezequiel P M
Published in The Journal of chemical physics (28.12.2015)
Published in The Journal of chemical physics (28.12.2015)
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Journal Article
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
Euti, Esteban M, Vélez-Romero, Patricio, Leiva, Ezequiel P. M, Macagno, Vicente A, Paredes-Olivera, Patricia A, Patrito, E. Martín, Cometto, Fernando P
Published in Langmuir (20.09.2016)
Published in Langmuir (20.09.2016)
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Quantitative Study of Non-Covalent Interactions at the Electrode-Electrolyte Interface Using Cyanide-Modified Pt(111) Electrodes
Escudero-Escribano, María, Zoloff Michoff, Martín E., Leiva, Ezequiel P. M., Marković, Nenad M., Gutiérrez, Claudio, Cuesta, Ángel
Published in Chemphyschem (22.08.2011)
Published in Chemphyschem (22.08.2011)
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Journal Article
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
Published in Journal of chemical theory and computation (13.11.2012)
Published in Journal of chemical theory and computation (13.11.2012)
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Journal Article
Cyanide-modified Pt(111): Structure, stability and hydrogen adsorption
Escudero-Escribano, María, Soldano, Germán J., Quaino, Paola, Zoloff Michoff, Martín E., Leiva, Ezequiel P.M., Schmickler, Wolfgang, Cuesta, Ángel
Published in Electrochimica acta (01.11.2012)
Published in Electrochimica acta (01.11.2012)
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Journal Article
Conference Proceeding
Density Functional Tight-Binding Model for Lithium–Silicon Alloys
Oviedo, María Belén, Fernandez, Francisco, Otero, Manuel, Leiva, Ezequiel P. M., Paz, Sergio Alexis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23.03.2023)
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Journal Article
Computer simulation of reversible electrochemical catalyst promoter dosing
Rojas, Mariana I., Mariscal, Marcelo M., Leiva, Ezequiel P.M.
Published in Electrochimica acta (01.12.2010)
Published in Electrochimica acta (01.12.2010)
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Journal Article
Diversity of Behavior after Collisions of Sn and Si Nanoparticles Found Using a New Density Functional Tight-Binding Method
Ruderman, Andrés, Oviedo, María Belén, Paz, Sergio Alexis, Leiva, Ezequiel P. M.
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2023)
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Journal Article
Role of the solvent in the activation of Li2S as cathode material: a DFT study
Velasco, Juan J, Vélez, Patricio, Zoloff Michoff, Martin E, Visintín, Arnaldo, Versaci, Daniele, Bodoardo, Silvia, Luque, Guillermina L, Leiva, Ezequiel P M
Published in Journal of physics. Condensed matter (01.07.2021)
Published in Journal of physics. Condensed matter (01.07.2021)
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