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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| openAccess |  | 22-ene-2015 | A full-configuration-interaction nuclear orbital approach and application for doped He clusters | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Mitrushchenkov, Alexander O. | artículo |
| closedAccess |  | 14-dic-2012 | Agregados de Helio: espectroscopía y su interacción con la superficie de TiO2 (110) | Aguirre, Néstor F. CSIC ORCID | tesis doctoral |
| openAccess | | 7-jun-2015 | An ab initio-Motivated Scheme for van der Waals-Adsorbate-Surface Interactions: Application to Time-Resolved Simulations of Helium-Droplet-Assisted Soft Landing of Metal Species | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Mitrushchenkov, Alexander O. | comunicación de congreso |
| openAccess |  | 3-abr-2015 | Communication: Unraveling the 4He droplet-mediated soft-landing from ab initio -assisted and time-resolved density functional simulations: Au@4He300/TiO2(110) | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Stoll, Hermann; Mitrushchenkov, Alexander O.; Mateo, David; Pi, Martí | artículo |
| openAccess |  | 20-mar-2015 | Gene2Path: A Data Analysis Tool to Study Fish Gene Pathways by Automatic Search of Orthologous Genes | Ballesteros, Natalia CSIC ORCID; Aguirre, Néstor F. CSIC ORCID; Coll, Julio; Pérez Prieto, Sara I. CSIC ; Rodríguez Saint-Jean, Sylvia CSIC | artículo |
| 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 | | 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 |  | 5-ene-2014 | LOWDIN: The any particle molecular orbital code | Flores-Moreno, Roberto; Posada, Edwin; Moncada, Félix; Romero, Jonathan; Charry, Jorge; Díaz-Tinoco, Manuel; González, Sergio A.; Aguirre, Néstor F. CSIC ORCID; Reyes, Andrés | 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 |
| 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 |  | 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 | | 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 |
| closedAccess |  | 10-sep-2014 | Potential energy surface and bound states of the (X4Σ)KRb-K complex | López Durán, David; Aguirre, Néstor F. CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Gianturco, Franco A.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 28-abr-2010 | Quantum solvent states and ro-vibrational spectra of small doped | Lara Castells, María Pilar de CSIC ORCID ; Aguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | preprint |
| 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 |
| 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 |  | 16-nov-2011 | The APMO-MOLPRO interface: Highly correlated electronic structure calculations with the inclusion of quantum nuclear effects at Hartree Fock level | Aguirre, Néstor F. CSIC ORCID; Posada, E.F.; Reyes, A.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
| openAccess |  | 19-jun-2011 | The APMO-MOLPRO interface: Highly correlated electronic structure calculations with the inclusion of quantum nuclear effects at Hartree-Fock level | Aguirre, Néstor F. CSIC ORCID; Posada, E.F.; Reyes, A.; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID | póster de congreso |
