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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | may-2007 | Key role of spin-orbit effects in the relaxation of CO2(010) by thermal collisions with O(3Pj) | Lara Castells, María Pilar de CSIC ORCID ; Hernández, Marta I. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; López-Puertas, Manuel CSIC ORCID | artículo |
openAccess | | 21-oct-2022 | Meta-stability through intermolecular interactions protecting the identity of atomic metal clusters: ab initio evidences in (Cu5-Cu5)n (n < 3) cases | Fernández, Berta; Lara Castells, María Pilar de CSIC ORCID | artículo |
closedAccess | | 2009 | Métodos basados en la función de onda para el estudio de agregados dopados de Helio y su interacción con óxidos metálicos | Lara Castells, María Pilar de CSIC ORCID | comunicación 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-feb-2010 | 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 | 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 |
closedAccess | | 1997 | Mode excitation dynamics in the fragmentation of Ar3 +: An helicity decoupling study | Buonomo, E.; Gianturco, Franco Antonio; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Villarreal, Pablo CSIC ORCID | artículo |
openAccess | | 15-oct-2019 | Model studies of the structure and optical properties of the TiO2(110) surface with an adsorbed Ag atom | Vazhappilly, T.; Lara Castells, María Pilar de CSIC ORCID ; Micha, D.A. | artículo |
closedAccess | | 15-dic-2015 | Modeling of soft, 4He droplet-assisted, deposition of metal nanostructures | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
openAccess | | 19-feb-2017 | Modeling of the Soft, 4He Droplet-mediated, Deposition of Metallic Nanoparticles: An Intermolecular Interaction Problem | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
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 | | 7-ago-2019 | New tools for the astrochemist: Multi-scale computational modelling and helium droplet-based spectroscopy: Comment on: “A never-ending story in the sky: The secrets of chemical evolution” by Cristina Puzzarini and Vincenzo Barone | Lara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W. | artículo |
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 |
closedAccess | | 1997 | On a possible mechanism for Ar4 + fragmentation | Buonomo, E.; Lara Castells, María Pilar de CSIC ORCID ; Gianturco, Franco Antonio | 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 | | 2003 | Photo-predissociation of the 4He 79Br2 complex: From empirical to ab initio potential energy surfaces | Hernández, Marta I. CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Buchachenko, Alexei A.; Prosmiti, Rita CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | capítulo de libro |
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 |