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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
openAccessQuantum.pdf.jpg17-oct-2017Quantum confinement of molecular deuterium clusters in carbon nanotubes: ab initio evidence for hexagonal close packingLara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W.; Mitrushchenkov, Alexander O.; Fernández-Perea, Ricardo CSIC ORCIDartículo
openAccessQuantum nuclear.pdf.jpg7-jun-2017Quantum Nuclear Motion of Helium and Molecular Nitrogen Clusters in Carbon NanotubesLara Castells, María Pilar de CSIC ORCID ; Hauser, Andreas W.; Mitrushchenkov, Alexander O.comunicación de congreso
openAccessQuantum Nuclear Motion.pdf.jpg31-ene-2017Quantum nuclear motion of helium and molecular nitrogen clusters in carbon nanotubesHauser, Andreas W.; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID artículo
openAccessJCPSA613219194313_1.pdf.jpg21-may-2010Quantum 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
openAccess2000Rotational, Spin-Orbit and Spin-Spin Interactions by an Improved Configuration Interaction Treatment: Predissociation Lifetimes of Excited Fine Structure Levels of OFLara Castells, María Pilar de CSIC ORCID ; Palmieri, P.; Mitrushchenkov, Alexander O.póster de congreso
openAccessSolved0001.pdf.jpg10-oct-2016Solved and Unsolved Problems in Modelling Superfluid Helium Nanodroplet-Mediated Synthesis and Soft-Deposition of a New Generation of Metallic NanoparticlesLara Castells, María Pilar de CSIC ORCID ; Cabrillo García, Carlos CSIC ORCID; Fernández-Perea, Ricardo CSIC ORCID; Mitrushchenkov, Alexander O.; Pi, Martí; Voloshina, Elenacomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg2013Solvent states and spectroscopy of doped helium clusters as a quantum-chemistry-like problemAguirre, Néstor F. CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Mitrushchenkov, Alexander O.; Lara Castells, María Pilar de CSIC ORCID artículo
openAccessaccesoRestringido.pdf.jpg6-ago-2018Spectroscopy of a rotating hydrogen molecule in carbon nanotubesLara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.artículo
closedAccessaccesoRestringido.pdf.jpg2000Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/ODLara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Palmieri, P.; Le Quéré, Fréderic; Léonard, Celine; Rosmus, P.artículo
openAccessOxidation of Sub-Nanometric.pdf.jpg19-may-2023Stability and Reversible Oxidation of Sub-Nanometric Cu5 Metal Clusters: Integrated Experimental Study and Theoretical ModelingBuceta, 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, Felix Gregorio; López-Quintela, M. Arturoartículo
openAccessPoster-MSSC2009.pdf.jpg6-sep-2009Towards the “soft-landing” adsorption of doped Helium nanodroplets: key role of the He-TiO2(110) interactionAguirre, Néstor F. CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.comunicación de congreso
openAccessTransferability.pdf.jpg17-nov-2015Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfacesLara Castells, María Pilar de CSIC ORCID ; Bartolomei, Massimiliano CSIC ORCID ; Mitrushchenkov, Alexander O.; Stoll, Hermannartículo
closedAccessaccesoRestringido.pdf.jpg2013Unravelling Coriolis temperature-dependent effects on doped helium clusters: Vib-rotational Raman spectra of (3,4He)4-Cl 2(X)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
closedAccess27-feb-2009Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3He ClustersLara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo