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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2000 | Blueshifts of the B ← X excitation spectra of He 79 Br 2 using a DIM-based potential | Buchachenko, Alexei A.; González-Lezana, Tomás CSIC ORCID ; Hernández, Marta I. CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| openAccess |  | 15-nov-2016 | Carbon nanotubes immersed in superfluid helium: the Impact of quantum confinement on wetting and capillary action | Hauser, Andreas W.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 15-jun-2023 | Carbon vacancy-assisted stabilization of individual Cu5 clusters on graphene. Insights from ab initio molecular dynamics | Carroll, Lenard L.; Moskaleva, Lyudmila V.; Lara Castells, María Pilar de CSIC ORCID | artículo |
| openAccess |  | 1-feb-2019 | Challenges in spectroscopy: Accuracy: versus interpretation from isolated molecules to condensed phases | Puzzarini, Cristina; Lara Castells, María Pilar de CSIC ORCID ; Ramos, Maria J. | editorial |
| closedAccess |  | 1999 | CI techniques for spin-dependent properties: a theoretical analysis of predissociation of OH in its lowest excited state | Lara Castells, María Pilar de CSIC ORCID ; Palmieri, P.; Mitrushchenkov, Alexander O. | póster de congreso |
| closedAccess |  | 2011 | Collective bosonic excitations in doped para -H2 clusters through the full-configuration-interaction nuclear orbital approach | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| closedAccess |  | 7-may-2009 | Collision and semicollisional processes involving open-shell species and non-adiabatic couplings in gas phase and gas/surface interfases | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| closedAccess |  | 1997 | Collisional heating in ionic argon clusters: The Ar + Ar2 + case | 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 |  | 5-may-2015 | Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag2/graphene | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Stoll, H. | artículo |
| openAccess |  | 17-oct-2014 | Communication: A Combined Periodic Density Functional and Incremental Wave-Function-based Approach for the Dispersion-Accounting Time-Resolved Dynamics of 4He Nanodroplets on Surfaces: 4He/Graphene | Lara Castells, María Pilar de CSIC ORCID ; Stoll, H.; Civalleri, B.; Causà, M. Voloshina, E.; Mitrushchenkov, Alexander O.; Pi, Martí | preprint |
| 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 |  | 8-dic-2001 | Complete basis set extrapolation limit for electronic structure calculations: Energetic and nonenergetic properties of HeBr and HeBr2 Van Der Waals dimers | Lara Castells, María Pilar de CSIC ORCID ; Krems, R.V.; Buchachenko, Alexei A.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| openAccess |  | 7-jun-2021 | Computational Characterization of the Intermixing of Iron Triade (Fe, Co, and Ni) Surfaces and Sub-nanometric Clusters with Atomic Gold | López-Caballero, Patricia CSIC ORCID; Garsed, Ricardo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID | artículo |
| closedAccess |  | 1996 | Computed energy curves for modelling the dissociation of helium trimer ions | Buonomo, E.; Gianturco, Franco Antonio; Schneider, F.; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Villarreal, Pablo CSIC ORCID | artículo |
| openAccess |  | 2023 | Cover Feature: 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, Félix G.; López-Quintela, M. Arturo | otro |
| openAccess |  | 4-oct-2023 | Cover Profile: High-level ab initio evidence of bipyramidal Cu5clustersas fluxional Jahn-Teller molecules | Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID | imagen |
| closedAccess |  | 2011 | Diffusion Monte Carlo description of Cs2(3Σ u)-(4He)N clusters: An example of weak dopant-helium interaction | López Durán, David; Pérez de Tudela, Ricardo CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| closedAccess | | 18-jun-2007 | Doped helium clusters analyzed through quantum chemistry methods | Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; López Durán, David; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Gianturco, Franco Antonio; Jellinek, J. | artículo |
| closedAccess | | 28-abr-2007 | Dynamics and potential energy surfaces for small to medium size He(n)-dihalogen clusters | Delgado Barrio, Gerardo CSIC ORCID ; Valdés, Álvaro CSIC ORCID; López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID | comunicación de congreso |
| openAccess |  | 5-ago-2019 | Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles | Schnedlitz, Martin; Fernández-Perea, Ricardo CSIC ORCID; Knez, Daniel; Lasserus, Maximilian; Schiffmann, Alexander; Hofer, F.; Hauser, Andreas W.; Lara Castells, María Pilar de CSIC ORCID ; Ernst, W.E. | artículo |
