Mostrando resultados 37 a 56 de 56
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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 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 |
| openAccess | | 19-jun-2011 | Physisorption of helium on a TiO2(110) surface: periodic and finite clusters approaches | Aguirre, Néstor F. CSIC ORCID; Mateo, D.; Pi, Martí; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| openAccess |  | 16-nov-2011 | Physisorption of helium on a TiO2(110) surface: periodic and finite clusters approaches | Aguirre, Néstor F. CSIC ORCID; Mateo, D.; Pi, Martí; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| openAccess |  | 17-oct-2017 | Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packing | Lara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W.; Mitrushchenkov, Alexander O.; Fernández-Perea, Ricardo CSIC ORCID | artículo |
| openAccess |  | 31-ene-2017 | Quantum nuclear motion of helium and molecular nitrogen clusters in carbon nanotubes | Hauser, Andreas W.; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 7-jun-2017 | Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon Nanotubes | Lara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W.; Mitrushchenkov, Alexander O. | comunicación de congreso |
| openAccess |  | 21-may-2010 | Quantum solvent states and rovibrational spectra of small doped 3He clusters through the full-configuration-interaction nuclear orbital approach: The „ (3He)N–Cl2„(X) case (N<4) | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess | | 2000 | Rotational, Spin-Orbit and Spin-Spin Interactions by an Improved Configuration Interaction Treatment: Predissociation Lifetimes of Excited Fine Structure Levels of OF | Lara Castells, María Pilar de CSIC ORCID ; Palmieri, P.; Mitrushchenkov, Alexander O. | póster de congreso |
| openAccess |  | 10-oct-2016 | Solved and Unsolved Problems in Modelling Superfluid Helium Nanodroplet-Mediated Synthesis and Soft-Deposition of a New Generation of Metallic Nanoparticles | Lara Castells, María Pilar de CSIC ORCID ; Cabrillo García, Carlos CSIC ORCID; Fernández-Perea, Ricardo CSIC ORCID; Mitrushchenkov, Alexander O.; Pi, Martí; Voloshina, Elena | comunicación de congreso |
| closedAccess |  | 2013 | Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problem | Aguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 6-ago-2018 | Spectroscopy of a rotating hydrogen molecule in carbon nanotubes | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| closedAccess |  | 2000 | Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Palmieri, P.; Le Quéré, Fréderic; Léonard, Celine; Rosmus, P. | artículo |
| openAccess |  | 19-may-2023 | Stability and Reversible Oxidation of Sub-Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical Modeling | Buceta, David; Huseyinova, Shahana; Cuerva, Miguel; Lozano, Héctor; Giovanetti, Lisandro J.; Ramallo-López, José M.; López-Caballero, Patricia CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Mitrushchenkov, Alexander O.; Hauser, Andreas W.; Barone, Giampaolo; Huck-Iriart, Cristián; Escudero, Carlos; Hernández-Garrido, Juan Carlos; Calvino, José Juan; López-Haro, Miguel; Lara Castells, María Pilar de CSIC ORCID ; Requejo, Felix Gregorio; López-Quintela, M. Arturo | artículo |
| openAccess |  | 6-sep-2009 | Towards the “soft-landing” adsorption of doped Helium nanodroplets: key role of the He-TiO2(110) interaction | Aguirre, Néstor F. CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | comunicación de congreso |
| openAccess |  | 17-nov-2015 | Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces | Lara Castells, María Pilar de CSIC ORCID ; Bartolomei, Massimiliano CSIC ORCID ; Mitrushchenkov, Alexander O.; Stoll, Hermann | artículo |
| closedAccess |  | 2013 | Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (3,4He)4-Cl 2(X) | Aguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| closedAccess | | 27-feb-2009 | Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3He Clusters | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
