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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | 2013 | A DFT based potential energy surface for the H7+ cluster | Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
closedAccess | | 4-jul-2010 | A global potential surface for H+3 from DFT calculations | Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
closedAccess | | 2012 | A theoretical characterization of multiple isomers of the He 2I 2 complex | Valdés, Álvaro CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Delgado Téllez, Laura; Medina, J. S. CSIC | artículo |
closedAccess | | 4-jul-2010 | Ab initio PIMC/CMC calculations: Quantum and thermal effects in H+5 cluster | Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
closedAccess | | 5-jul-2011 | Direct Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters | Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
closedAccess | | 10-jul-2011 | Direct PIMC dynamics simulations of H_5^+/D_5^+ clusters | Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
openAccess | | 2012 | Direct PIMC simulations of H5+/D5+ clusters: thermal equilibrium state properties. | Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | 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 | | 2012 | Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H 7 + cluster | Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Wang, Yimin; Bowman, Joel M. | artículo |
openAccess | | 13-feb-2013 | Full-dimensional ab initio potential energy surface and dynamics for the H+ 7 cluster | Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Wang, Y.; Qu, C.; Bowman, Joel M. | comunicación de congreso |
openAccess | | 11-jul-2013 | Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H 7 + / D 7 + clusters using an ab initio potential energy surface | Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Qu, Chen; Prosmiti, Rita CSIC ORCID; Bowman, Joel M. | artículo |
closedAccess | | 2011 | Global potential energy surface for the ground electronic state of H 3 +: A DFT approach | Barragán, Patricia 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 | | 2011 | Internal proton transfer and H2 rotations in the H 5 + cluster: A marked influence on its thermal equilibrium state | Pérez de Tudela, Ricardo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | 28-sep-2010 | Isotope effect in ion-atom collisions | Barragán, Patricia CSIC ORCID; Errea, L.F.; Méndez, L.; Rabadán, I. | artículo |
openAccess | | 14-jul-2010 | A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form | Aguado, Alfredo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID | artículo |
openAccess | | 29-jun-2010 | Path Integral Monte Carlo calculations on atomic clusters | Pérez de Tudela, Ricardo CSIC ORCID; Márquez-Mijares, Maykel CSIC; Barragán, Patricia CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | comunicación de congreso |
closedAccess | | 2011 | Path integral Monte Carlo studies of the H5 +/D 5 + clusters using ab initio potential surfaces | Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
closedAccess | | 27-jul-2011 | Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters: thermal equilibrium state properties | Prosmiti, Rita CSIC ORCID; Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
openAccess | | 2010 | Resonances in electron-capture total cross sections for C4+ and B5+ collisions with H(1s) | Barragán, Patricia CSIC ORCID; Errea, L.F.; Guzmán, L.F.; Méndez, L.; Rabadán, I.; Ben-Itzhak, I. | artículo |