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| Rights | Preview | Issue Date | Title | Author(s) | Type |
| openAccess |  | 10-Oct-2014 | A Combined Periodic Density Functional and Incremental Wave-Function-Based Approach for the Dipersion-Accounting Time-Resolved Dynamics of 4He Nanodroplets on Surfaces: 4He/Graphene | Lara Castells, María Pilar de  ; Stoll, H.; Civalleri, B.; Causà, M.; Voloshina, E.; Mitrushchenkov, Alexander O. ; Pi, Martí | póster de congreso |
| closedAccess |  | 2011 | A finite cluster approach to an extended transition metal oxide: A wave function based study | Lara Castells, María Pilar de ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 22-Jan-2015 | A full-configuration-interaction nuclear orbital approach and application for doped He clusters | Lara Castells, María Pilar de ; Aguirre, Néstor F. ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 12-Dec-2020 | A nuclear spin and spatial symmetry-adapted full quantum method for light particles inside carbon nanotubes: clusters of 3He, 4He, and para-H2 | Lara Castells, María Pilar de ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 2007 | A quantum-mechanical study of the O2 photodesorption from a reduced TiO2(110) surface | Lara Castells, María Pilar de ; Mitrushchenkov, Alexander O. ; Roncero, Octavio ; Krause, Jeffrey L. | comunicación de congreso |
| openAccess | | 25-Aug-2017 | Ab initio confirmation of a harpoon-type electron transfer in a helium droplet | Lara Castells, María Pilar de ; Hauser, Andreas W.; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 27-Jun-2018 | Ab initio design of light absorption through silver atomic cluster decoration of TiO2 | Lara Castells, María Pilar de ; Cabrillo, Carlos; Micha, D.A.; Mitrushchenkov, Alexander O. ; Vazhappilly, T. | artículo |
| openAccess |  | 10-Dec-2018 | Ab initio modelling of molecular hydrogen rotation in the outside of carbon nanotubes | Lara Castells, María Pilar de ; Mitrushchenkov, Alexander O. | artículo |
| openAccess | | 2005 | Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2(110) surface | Lara Castells, María Pilar de ; Mitrushchenkov, Alexander O. ; Roncero, Octavio ; Krause, Jeffrey L. | artículo |
| openAccess |  | 22-Oct-2020 | Ag5-induced stabilization of multiple surface polarons on perfect and reduced TiO2 rutile (110) | López-Caballero, Patricia; Miret-Artés, Salvador ; Mitrushchenkov, Alexander O. ; Lara Castells, María Pilar de | artículo |
| 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 ; Aguirre, Néstor F. ; Mitrushchenkov, Alexander O. | comunicación de congreso |
| openAccess |  | 10-Oct-2014 | Assessing the Performance of Dispersionless and Dispersion-Accounting Methods: He/TiO2(110) | Lara Castells, María Pilar de ; Stoll, Hermann; Mitrushchenkov, Alexander O. | póster de congreso |
| openAccess |  | 12-Feb-2014 | Assessing the Performance of Dispersionless and Dispersion-accounting Methods: Helium Interaction with Cluster Models of the TiO2(110) Surface | Lara Castells, María Pilar de ; Stoll, H.; Mitrushchenkov, Alexander O. | preprint |
| 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 ; 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 ; Mitrushchenkov, Alexander O. | 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 ; 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 ; Stoll, H.; Civalleri, B.; Causà, M. Voloshina, E.; Mitrushchenkov, Alexander O. ; Pi, Martí | preprint |
| openAccess |  | 3-Apr-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 ; Aguirre, Néstor F. ; Stoll, Hermann; Mitrushchenkov, Alexander O. ; Mateo, David; Pi, Martí | artículo |
| embargoedAccess |  | 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 ; 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 ; Hauser, Andreas W.; Mitrushchenkov, Alexander O. | comunicación de congreso |
