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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 1-dic-2023 | Computational Energy Spectra of the H2 O@C70 Endofullerene | Carrillo-Bohórquez, Orlando CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
openAccess | | 30-jun-2023 | Confining CO2 inside sI clathrate-hydrates: The impact of the CO2 -water interaction on quantized dynamics | Valdés, Álvaro CSIC ORCID; Cabrera-Ramírez, Adriana CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
openAccess | | 2015 | Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study | Prosmiti, Rita CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID | artículo |
openAccess | | 22-jul-2015 | Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics study | Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID | póster de congreso |
openAccess | | 2017 | Density-functional approximations on CO2@sI clathrate hydrate interactions | Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | 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 |
closedAccess | | 2013 | Effect of transition metal dopants on initial mass transport in the dehydrogenation of NaAlH4: Density functional theory study | Marashdeh, Ali; Versluis Jan-Willem I.; Valdés, Álvaro CSIC ORCID; Olsen, Roar A.; Lovvik, Ole Martin; Kroes, Geert-Jan | artículo |
closedAccess | | 28-may-2014 | Energetics and solvation structure of a dihalogen dopant (I2) in 4He clusters | Pérez de Tudela, Ricardo CSIC ORCID; Barragán, Patricia CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
openAccess | | 23-dic-2020 | Exploring CO2@sI Clathrate Hydrates as CO2Storage Agentsby Computational Density Functional Approaches | Cabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
closedAccess | | 2014 | First-principles simulations of vibrational states and spectra for H 5 + and D5 + clusters using multiconfiguration time-dependent Hartree approach | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
openAccess | | 2011 | Full-dimensional multi configuration time dependent Hartree calculations of the ground and vibrationally excited states of He2,3Br2 clusters | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | 11-jun-2019 | Fully Coupled Quantum Treatment of a Water Molecule inside a Fullerene C60 | Valdés, Álvaro CSIC ORCID; Carrillo-Bohórquez, Orlando CSIC ORCID ; Prosmiti, Rita CSIC ORCID | comunicación de congreso |
openAccess | | 12-nov-2018 | Fully Coupled Quantum Treatment of Nanoconfined Systems: A Water Molecule inside a Fullerene C60 | Valdés, Álvaro CSIC ORCID; Carrillo-Bohórquez, Orlando CSIC ORCID ; Prosmiti, Rita CSIC ORCID | artículo |
closedAccess | | 2012 | HeI 2 interaction potential based on an interpolation scheme | Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | 2011 | Infrared spectrum of H5 + and D5 +: The simplest shared-proton model | Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCID | artículo |
closedAccess | | 2009 | Intermolecular Ab initio potential and spectroscopy of the ground state of HeI2 complex revisited | García Gutiérrez, Leonor CSIC; Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | ene-2006 | An overview on potential energy surfaces of rare-gas dihalogen van der Waals clusters | Delgado Barrio, Gerardo CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID | artículo |
closedAccess | | 2007 | Potential energy surfaces and dynamics of HE_NBR_2 Van Der Waals complexes | Delgado Barrio, Gerardo CSIC ORCID ; López-Durán, David CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; González-Lezana, Tomás CSIC ORCID ; Villarreal, Pablo CSIC ORCID | capítulo de libro |
openAccess | | 31-mar-2017 | Preferential stabilization of HeI2 van der Waals isomers: the effect of energetics and temperature | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
closedAccess | | 27-ene-2015 | Quantum dynamics of carbon dioxide encapsulated in the cages of the si clathrate hydrate: Structural guest distributions and cage occupation | Valdés, Álvaro CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |