Computational studies of stable hexanuclear CulAgmAun (l + m + n = 6; l, m, n > 0) clusters
Posada-Amarillas, Alvaro, Pacheco-Contreras, Rafael, Morales-Meza, Sharity, Sanchez, Mario, Schön, J. Christian
Published in International journal of quantum chemistry (05.07.2016)
Published in International journal of quantum chemistry (05.07.2016)
Get full text
Journal Article
Theoretical study of the thermally induced structural fluctuations in sub-nanometre size gold clusters
Cabrera-Trujillo, José Manuel, Montejano-Carrizales, Juan Martín, Aguilera-Granja, Faustino, Posada-Amarillas, Álvaro
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.07.2015)
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.07.2015)
Get full text
Journal Article
Determination of the energy landscape of Pd12Pt1 using a combined genetic algorithm and threshold energy method
Pacheco-Contreras, Rafael, Borbón-González, Dora J., Dessens-Félix, Maribel, Paz-Borbón, Lauro Oliver, Johnston, Roy L., Schön, J. Christian, Jansen, Martin, Posada-Amarillas, Alvaro
Published in RSC advances (01.01.2013)
Published in RSC advances (01.01.2013)
Get full text
Journal Article
DFT study of small Re-Pt clusters supported on γ-Al2O3
Gálvez-González, Luis E., Paz-Borbón, Lauro Oliver, Posada-Amarillas, Alvaro
Published in Surface science (01.11.2022)
Published in Surface science (01.11.2022)
Get full text
Journal Article
H 2 Adsorption on Cu 4-x M x (M = Au, Pt; x = 0–4) Clusters: Similarities and Differences As Predicted by Density Functional Theory
Gálvez-González, Luis E., Alonso, Julio A., Paz-Borbón, Lauro Oliver, Posada-Amarillas, Alvaro
Published in Journal of physical chemistry. C (26.12.2019)
Published in Journal of physical chemistry. C (26.12.2019)
Get full text
Journal Article
Pd 8 Cluster: Too Small to Melt? A BOMD Study
Luna-Valenzuela, Analila, Pedroza-Montero, Jesús N, Köster, Andreas M, Calaminici, Patrizia, Gálvez-González, Luis E, Posada-Amarillas, Alvaro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.01.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.01.2024)
Get full text
Journal Article
CeO(111) electronic reducibility tuned by ultra-small supported bimetallic Pt-Cu clusters
Paz-Borbón, Lauro Oliver, Buendía, Fernando, Garzón, Ignacio L, Posada-Amarillas, Alvaro, Illas, Francesc, Li, Jun
Published in Physical chemistry chemical physics : PCCP (17.07.2019)
Published in Physical chemistry chemical physics : PCCP (17.07.2019)
Get full text
Journal Article
Structure, Energetics, and Thermal Behavior of Bimetallic Re–Pt Clusters
Gálvez-González, Luis E, Posada-Amarillas, Alvaro, Paz-Borbón, Lauro Oliver
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.05.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.05.2021)
Get full text
Journal Article
Pd8 Cluster: Too Small to Melt? A BOMD Study
Luna-Valenzuela, Analila, Pedroza-Montero, Jesús N., Köster, Andreas M., Calaminici, Patrizia, Gálvez-González, Luis E., Posada-Amarillas, Alvaro
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.01.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.01.2024)
Get full text
Journal Article
Empirical-potential global minima and DFT local minima of trimetallic AglAumPtn (l+m+n=13, 19, 33, 38) clusters
Pacheco-Contreras, Rafael, Juárez-Sánchez, J. Octavio, Dessens-Félix, Maribel, Aguilera-Granja, Faustino, Fortunelli, Alessandro, Posada-Amarillas, Alvaro
Published in Computational materials science (01.01.2018)
Published in Computational materials science (01.01.2018)
Get full text
Journal Article