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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| openAccess |  | 8-jun-2020 | From Molecular Aggregation to a One-Dimensional Quantum Crystal of Deuterium Inside a 1-nm Carbon Nanotube | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| closedAccess |  | 2-oct-2017 | From Quantum Confinement in Carbon Nanotubes to a Harpoon-Type Electron Transfer in a Helium Droplet | Lara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W.; Mitrushchenkov, Alexander O. | comunicación de congreso |
| openAccess |  | 21-sep-2023 | Front Cover: High-level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn-Teller molecules (ChemPhysChem 19/2023) | Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | imagen |
| openAccess |  | 8-dic-2006 | A full-configuration interaction "nuclear orbital'' method to study doped 3He(N) clusters (N<=4) | Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 19-sep-2017 | Helium droplet-mediated deposition and aggregation of nanoscale silver clusters on carbon surfaces | Fernández-Perea, Ricardo CSIC ORCID; Gómez, Luis F.; Cabrillo García, Carlos CSIC ORCID; Pi, Martí; Mitrushchenkov, Alexander O.; Vilesov, Andrey F.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| closedAccess |  | 2-oct-2017 | Helium Droplet-Mediated Deposition and Aggregation of Nanoscale Silver Clusters on Carbon Surfaces | Fernández-Perea, Ricardo CSIC ORCID; Gómez, L. F.; Cabrillo García, Carlos CSIC ORCID; Pi, Martí; Mitrushchenkov, Alexander O.; Vilesov, Andrey F.; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| openAccess | | 12-sep-2012 | Helium mediated deposition on the TIO2(110) surface from first-principles | Aguirre, Néstor F. CSIC ORCID; Mateo, David; Mitrushchenkov, Alexander O.; Pi, Martí; Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| openAccess |  | 2012 | Helium mediated deposition: Modeling the He-TiO 2(110)- (1×1) interaction potential and application to the collision of a helium droplet from density functional calculations | Aguirre, Néstor F. CSIC ORCID; Mateo, David; Mitrushchenkov, Alexander O.; Pi, Martí; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 4-oct-2023 | High-level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn-Teller molecules | Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess | | 2013 | Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems | Aguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Posada, Edwin; Reyes, Andrés; Biczysko, Malgorzata; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 30-jun-2010 | Interaction of a He atom with a rutile TiO2 surface as a prototype case to include dynamical correlation in extended systems | Aguirre, Néstor F. CSIC ORCID; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| closedAccess |  | 2011 | Microscopic description of small doped 3He clusters through the full-configuration-interaction nuclear orbital approach: The ( 3He)N-Br2(X) case revisited | Lara Castells, María Pilar de CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 8-dic-2021 | Mini Review: Quantum Confinement of Atomic and Molecular Clusters in Carbon Nanotubes | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | feb-2010 | Molecular photoreactivity on metal-oxide surfaces from first-principles: photocathalysis and photovoltaics | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; López Durán, David; Ortega Mateo, José; Mitrushchenkov, Alexander O. | libro |
| openAccess |  | 11-oct-2021 | Nonadiabatic Effects in the Molecular Oxidation of Subnanometric Cu5 Clusters | Mitrushchenkov, Alexander O.; Zanchet, Alexandre CSIC ORCID; Hauser, Andreas W.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| closedAccess |  | 15-oct-2015 | Nuclear Bound States of Molecular Hydrogen Physisorbed on Graphene: An Effective Two-Dimensional Model | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 16-oct-2019 | On the Stability of Cu5 Catalysts in Air Using Multi-Reference Perturbation Theory | Zanchet, Alexandre CSIC ORCID; López-Caballero, Patricia CSIC ORCID; Mitrushchenkov, Alexander O.; Buceta, David; Lopez-Quintela, Manuel Arturo; Hauser, Andreas W.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 16-nov-2009 | An optimized full-configuration-interaction nuclear orbital approach to a “hard-core” interaction problem: Application to (3He)N–Cl2(B) clusters (N<4) | Lara Castells, María Pilar de CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 1-feb-2021 | Outstanding nobility observed in Cu5 clusters reveals the key role of collective quantum effects | Buceta, David; Huseyinova, S.; Cuerva, Miguel; Lozano, Héctor; Giovanetti, L.J.; Ramallo-López, José M.; López-Caballero, Patricia CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Mitrushchenkov, Alexander O.; Hauser, Andreas W.; Barone, G.; Huck-Iriart, C.; Escudero, Carlos; Hernández-Garrido, J.C.; Calvino, J.J.; Lopez-Haro, Miguel; Lara Castells, María Pilar de CSIC ORCID ; Requejo, Félix G.; López-Quintela, M. A. | artículo |
| closedAccess |  | 2012 | Physisorption of helium on a TiO2(110) surface: Periodic and finite cluster approach | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Mitrushchenkov, Alexander O. | artículo |
