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Rights | Preview | Issue Date | Title | Author(s) | Type |
closedAccess |  | 2013 | A DFT based potential energy surface for the H7+ cluster | Barragán, Patricia ; Prosmiti, Rita  | artículo |
closedAccess |  | 4-Jul-2010 | A global potential surface for H+3 from DFT calculations | Barragán, Patricia ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | póster de congreso |
closedAccess |  | 2012 | A theoretical characterization of multiple isomers of the He 2I 2 complex | Valdés, Álvaro ; Barragán, Patricia ; Pérez de Tudela, Ricardo ; Delgado Tellez, Laura; Medina, J. S.  | artículo |
closedAccess |  | 4-Jul-2010 | Ab initio PIMC/CMC calculations: Quantum and thermal effects in H+5 cluster | Prosmiti, Rita ; Barragán, Patricia ; Pérez de Tudela, Ricardo ; Villarreal, Pablo ; Delgado Barrio, Gerardo | póster de congreso |
closedAccess |  | 5-Jul-2011 | Direct Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters | Barragán, Patricia ; Pérez de Tudela, Ricardo ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | póster de congreso |
closedAccess |  | 10-Jul-2011 | Direct PIMC dynamics simulations of H_5^+/D_5^+ clusters | Prosmiti, Rita ; Barragán, Patricia ; Pérez de Tudela, Ricardo ; Villarreal, Pablo ; Delgado Barrio, Gerardo | póster de congreso |
openAccess | | 2012 | Direct PIMC simulations of H5+/D5+ clusters: thermal equilibrium state properties. | Prosmiti, Rita ; Barragán, Patricia ; Pérez de Tudela, Ricardo ; Villarreal, Pablo ; Delgado Barrio, Gerardo | artículo |
closedAccess |  | 28-May-2014 | Energetics and solvation structure of a dihalogen dopant (I2) in 4He clusters | Pérez de Tudela, Ricardo ; Barragán, Patricia ; Valdés, Álvaro ; Prosmiti, Rita  | artículo |
openAccess |  | 2012 | Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H 7 + cluster | Barragán, Patricia ; Prosmiti, Rita ; 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 ; Pérez de Tudela, Ricardo ; Prosmiti, Rita ; Wang, Y.; Qu, C.; Bowman, J. 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 ; Pérez de Tudela, Ricardo ; Qu, Chen; Prosmiti, Rita ; Bowman, Joel M. | artículo |
closedAccess |  | 2011 | Global potential energy surface for the ground electronic state of H 3 +: A DFT approach | Barragán, Patricia ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | artículo |
openAccess |  | 2011 | Infrared spectrum of H5 + and D5 +: The simplest shared-proton model | Sanz-Sanz, Cristina ; Roncero, Octavio ; Valdés, Álvaro ; Prosmiti, Rita ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Barragán, Patricia ; Aguado, Alfredo  | 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 ; Barragán, Patricia ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | artículo |
openAccess |  | 28-Sep-2010 | Isotope effect in ion-atom collisions | Barragán, Patricia ; 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 ; Barragán, Patricia ; Prosmiti, Rita ; Delgado Barrio, Gerardo ; Villarreal, Pablo ; Roncero, Octavio  | artículo |
openAccess |  | 29-Jun-2010 | Path Integral Monte Carlo calculations on atomic clusters | Pérez de Tudela, Ricardo ; Márquez-Mijares, Maykel ; Barragán, Patricia ; González-Lezana, Tomás ; Prosmiti, Rita ; Roncero, Octavio ; Miret-Artés, Salvador ; Villarreal, Pablo ; Delgado Barrio, Gerardo | comunicación de congreso |
closedAccess |  | 2011 | Path integral Monte Carlo studies of the H5 +/D 5 + clusters using ab initio potential surfaces | Barragán, Patricia ; Pérez de Tudela, Ricardo ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | artículo |
closedAccess |  | 27-Jul-2011 | Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clusters: thermal equilibrium state properties | Prosmiti, Rita ; Barragán, Patricia ; Pérez de Tudela, Ricardo ; Villarreal, Pablo ; Delgado Barrio, Gerardo | póster de congreso |
openAccess |  | 2010 | Resonances in electron-capture total cross sections for C4+ and B5+ collisions with H(1s) | Barragán, Patricia ; Errea, L.F.; Guzmán, L.F.; Méndez, L.; Rabadán, I.; Ben-Itzhak, I. | artículo |