Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics von Vargas, Angelo, Santarossa, Gianluca, Iannuzzi, Marcella, Baiker, Alfons

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Adsorption of Naphthalene and Quinoline on Pt, Pd and Rh: A DFT Study von Santarossa, Gianluca, Iannuzzi, Marcella, Vargas, Angelo, Baiker, Alfons

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Chiral Recognition on Catalytic Surfaces: Theoretical Insight in a Biomimetic Heterogeneous Catalytic System von Vargas, Angelo, Santarossa, Gianluca, Iannuzzi, Marcella, Baiker, Alfons

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Controlling the Sense of Enantioselection on Surfaces by Conformational Changes of Adsorbed Modifiers von Vargas, Angelo, Ferri, Davide, Bonalumi, Norberto, Mallat, Tamas, Baiker, Alfons

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Modeling bulk and surface Pt using the "Gaussian and plane wave" density functional theory formalism: validation and comparison to k-point plane wave calculations von Santarossa, Gianluca, Vargas, Angelo, Iannuzzi, Marcella, Pignedoli, Carlo A, Passerone, Daniele, Baiker, Alfons

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The Origin of Chemo- and Enantioselectivity in the Hydrogenation of Diketones on Platinum von Diezi, Simon, Ferri, Davide, Vargas, Angelo, Mallat, Tamas, Baiker, Alfons

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Shape-Selective Enantioselective Hydrogenation on Pt Nanoparticles von Schmidt, Erik, Vargas, Angelo, Mallat, Tamas, Baiker, Alfons

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Representaciones sociales: el significado de la educación física para los estudiantes de esa disciplina von Caniuqueo Vargas, Alexis, Hernández-Mosqueira, Claudio, Troyano Agredo, Angélica, Riquelme Uribe, Daniel, Vargas, Ángelo, Vargas Vitoria, Rodrigo, Fernandes Filho, José

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Magnetically separable Pt catalyst for asymmetric hydrogenation von Panella, Barbara, Vargas, Angelo, Baiker, Alfons

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First Principles Analysis of H2O Adsorption on the (110) Surfaces of SnO2, TiO2 and Their Solid Solutions von Hahn, Konstanze R, Tricoli, Antonio, Santarossa, Gianluca, Vargas, Angelo, Baiker, Alfons

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Exchange of Hydrogen between a Platinum Surface and a Tertiary Amine: An ab Initio Molecular Dynamics Investigation von Vargas, Angelo, Santarossa, Gianluca, Baiker, Alfons

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Chemical Availability and Reactivity of Functional Groups grafted to Magnetic Nanoparticles monitored In situ by ATR-IR Spectroscopy von Panella, Barbara, Vargas, Angelo, Ferri, Davide, Baiker, Alfons

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Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics von Santarossa, Gianluca, Vargas, Angelo, Iannuzzi, Marcella, Baiker, Alfons

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First principles study of the conformations of cinchonidine on a Pt(111) surface von Vargas, Angelo, Baiker, Alfons

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Ab Initio Molecular Dynamics Investigation of the Coadsorption of Acetaldehyde and Hydrogen on a Platinum Nanocluster von Vargas, Angelo, Santarossa, Gianluca, Baiker, Alfons

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PHYSICAL EDUCATION IN HIGH SCHOOL IN TODAY'S REALITY von CRUZ MARCELINO, ANDREA MARA, VARGAS, ANGELO

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Corrigendum to “First principles study of the conformations of cinchonidine on a Pt(111) surface” [J. Catal. 239 (2006) 220–226] von Vargas, Angelo, Baiker, Alfons

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Adsorption of cinchonidine on platinum: a DFT insight in the mechanism of enantioselective hydrogenation of activated ketones von Vargas, Angelo, Bürgi, Thomas, Baiker, Alfons

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Competition at Chiral Metal Surfaces:  Fundamental Aspects of the Inversion of Enantioselectivity in Hydrogenations on Platinum von Bonalumi, Norberto, Vargas, Angelo, Ferri, Davide, Bürgi, Thomas, Mallat, Tamas, Baiker, Alfons

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DFT and ATR-IR insight into the conformational flexibility of cinchonidine adsorbed on platinum: Proton exchange with metal von Vargas, Angelo, Ferri, Davide, Baiker, Alfons

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