BIGDML—Towards accurate quantum machine learning force fields for materials von Sauceda, Huziel E., Gálvez-González, Luis E., Chmiela, Stefan, Paz-Borbón, Lauro Oliver, Müller, Klaus-Robert, Tkatchenko, Alexandre

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CO2 adsorption on gas-phase Cu4−xPtx (x = 0–4) clusters: a DFT study von Gálvez-González, Luis E, J Octavio Juárez-Sánchez, Pacheco-Contreras, Rafael, Garzón, Ignacio L, Lauro Oliver Paz-Borbón, Posada-Amarillas, Alvaro

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“Get in Touch and Keep in Contact”: Interface Effect on the Oxygen Reduction Reaction (ORR) Activity for Supported PtNi Nanoparticles von Asara, Gian Giacomo, Paz-Borbón, Lauro Oliver, Baletto, Francesca

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CeO2(111) electronic reducibility tuned by ultra-small supported bimetallic Pt–Cu clusters von Lauro Oliver Paz-Borbón, Buendía, Fernando, Garzón, Ignacio L, Posada-Amarillas, Alvaro, Illas, Francesc, Li, Jun

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Effect of the Metal–Ligand Interface on the Chiroptical Activity of Cysteine‐Protected Nanoparticles von Rodríguez‐Zamora, Penélope, Cordero‐Silis, Cédric A., Garza‐Ramos, Georgina R., Salazar‐Angeles, Benjamin, Luque‐Ceballos, Jonathan C., Fabila, Jorge C., Buendía, Fernando, Paz‐Borbón, Lauro Oliver, Díaz, Gabriela, Garzón, Ignacio L.

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Surface Vacancy Generation by STM Tunneling Electrons in the Presence of Indigo Molecules on Cu(111) von Villagómez, Carlos Javier, Buendía, Fernando, Paz-Borbón, Lauro Oliver, Fuentes, Bernardo, Zambelli, Tomaso, Bouju, Xavier

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Structure, Energetics, and Thermal Behavior of Bimetallic Re–Pt Clusters von Gálvez-González, Luis E, Posada-Amarillas, Alvaro, Paz-Borbón, Lauro Oliver

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DFT-Computed Trends in the Properties of Bimetallic Precious Metal Nanoparticles with Core@Shell Segregation von Logsdail, Andrew J, Paz-Bórbon, Lauro Oliver, Downing, Christopher A

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Structures, stabilities and aromatic properties of endohedrally transition metal doped boron clusters M@B22, M = Sc and Ti: a theoretical study von Celaya, Christian A, Buendía, Fernando, Miralrio, Alan, Lauro Oliver Paz-Borbón, Beltran, Marcela, Nguyen, Minh Tho, Sansores, Luis E

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Structural motifs, mixing, and segregation effects in 38-atom binary clusters von Paz-Borbón, Lauro Oliver, Johnston, Roy L, Barcaro, Giovanni, Fortunelli, Alessandro

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Oxidation at the Subnanometer Scale von Trinchero, Adriana, Klacar, Simon, Paz-Borbón, Lauro Oliver, Hellman, Anders, Grönbeck, Henrik

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GC-MS analysis of mango stem bark extracts (Mangifera indica L.), Haden variety. Possible contribution of volatile compounds to its health effects von Núñez Sellés, Alberto J., Agüero, Juan Agüero, Paz, Lauro Nuevas

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Simulated Photoemission Spectra of Hydroxylated MgO(100) at Elevated Temperatures von Paz-Borbón, Lauro Oliver, Hellman, Anders, Grönbeck, Henrik

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Quality and Organizational Innovation: Competitiveness Tools in the Table Grape System von Maycotte de la Peña, Mayra Lucía, Montaño Silva, Karen, Robles Parra, Jesús Martín, Paz-Luna, Jesús Lauro

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A DFT Study on the O2 Adsorption Properties of Supported PtNi Clusters von Paz-Borbón, Lauro, Baletto, Francesca

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Efficient hydrogenation over single-site bimetallic RuSn clusters von Paz-Borbn, Lauro Oliver, Hellman, Anders, Thomas, John Meurig, Grnbeck, Henrik

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A Mixed Structural Motif in 34-Atom Pd−Pt Clusters von Paz-Borbón, Lauro Oliver, Johnston, Roy L, Barcaro, Giovanni, Fortunelli, Alessandro

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The effect of rutile TiO2(110) surface on the physicochemical properties of subnanometer Au–Pd clusters: A DFT study von Álvarez-García, Andrés, Luque-Ceballos, Jonathan Casildo, Paz-Borbón, Lauro Oliver, Garzón, Ignacio L.

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Methanol interaction over Cu-Pt clusters supported on CeO2: Towards an understanding of adsorption sites von Buendía, Fernando, Araiza, Daniel G., López-Rodríguez, Luis, Paz-Borbón, Lauro Oliver, Díaz, Gabriela

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Theoretical study on the cluster–surface interaction: The case of subnanometer Pt–Re clusters supported on MgO(100) von Álvarez-García, Andrés, Luque-Ceballos, Jonathan Casildo, Paz-Borbón, Lauro Oliver, Garzón, Ignacio L.

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