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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| 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 CSIC ORCID ; Stoll, H.; Civalleri, B.; Causà, M.; Voloshina, E.; Mitrushchenkov, Alexander O.; Pi, Martí | póster de congreso |
| openAccess |  | 27-feb-2019 | A few illustrative results from WG3 activities: molecules under confinement | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| closedAccess |  | 2011 | A finite cluster approach to an extended transition metal oxide: A wave function based study | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| closedAccess |  | 1997 | A full quantum study of the vibrational predissociation mechanisms in Ar+ 3 cluster | Buonomo, E.; Gianturco, Franco Antonio; Lara Castells, María Pilar de CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| closedAccess |  | 14-jul-2014 | A full-configuration interaction nuclear-orbital approach to small doped 3He clusters and comparison with 4He and para-H2 counterparts | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| closedAccess |  | 3-oct-2010 | A Full-Configuration Nuclear Orbital approach and application for small doped. He clusters | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| 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 |
| openAccess |  | 14-dic-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 CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 24-sep-2021 | A path integral molecular dynamics simulation of a harpoon-type redox reaction in a helium nanodroplet | Castillo-García, Alvaro CSIC; Hauser, Andreas W.; Lara Castells, María Pilar de CSIC ORCID ; Villarreal, Pablo CSIC ORCID | artículo |
| openAccess |  | 2003 | A quantum chemistry approach for the study of small doped 3He clusters | López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Paola, C. Di.; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | comunicación de congreso |
| openAccess | | 2012 | A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clusters | Pérez de Tudela, Ricardo CSIC ORCID; López Durán, David; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo CSIC ORCID | artículo |
| openAccess |  | 2007 | A quantum-mechanical study of the O2 photodesorption from a reduced TiO2(110) surface | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Roncero, Octavio CSIC ORCID ; Krause, Jeffrey L. | comunicación de congreso |
| openAccess |  | 12-sep-2022 | A subnanometric material reveals new quantum-chemical insights into surface polarons | Lara Castells, María Pilar de CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID | artículo |
| openAccess | | 25-ago-2017 | Ab initio confirmation of a harpoon-type electron transfer in a helium droplet | Lara Castells, María Pilar de CSIC ORCID ; 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 CSIC ORCID ; Cabrillo García, Carlos CSIC ORCID; Micha, D.A.; Mitrushchenkov, Alexander O.; Vazhappilly, T. | artículo |
| openAccess |  | 10-dic-2018 | Ab initio modelling of molecular hydrogen rotation in the outside of carbon nanotubes | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O. | artículo |
| openAccess |  | 11-sep-2016 | Ab-initio assisted modelling of the soft, 4He droplet-mediated, deposition of metallic nanoparticle | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| openAccess |  | 19-abr-2018 | Ab-initio modelling of molecular motion under confinement | Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| openAccess | | 6-jun-2017 | Ab-initio-Driven Atomistic Simulations of the Deposition and Aggregation of Nanoscale Metal Particles on Carbon-Based Surfaces at Room Temperature | Fernández-Perea, Ricardo CSIC ORCID; Gómez, Luis F.; Pi, Martí; Cabrillo García, Carlos CSIC ORCID; Vilesov, Andrey F.; Lara Castells, María Pilar de CSIC ORCID | comunicación de congreso |
| closedAccess |  | 1999 | Accurate abinitio prediction of the rovibrational energy levels and equilibrium geometry of carbonyl selenide (OCSe) | Puzzarini, C.; Lara Castells, María Pilar de CSIC ORCID ; Tarroni, R.; Palmieri, P.; Domaison, J. | artículo |
