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Browsing by Author Barragán, Patricia

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Showing results 1 to 15 of 15
Issue DateTitleAuthor(s)Type
2013A DFT based potential energy surface for the H7+ clusterBarragán, Patricia; Prosmiti, RitaArtículo
2012A theoretical characterization of multiple isomers of the He 2I 2 complexValdés, Álvaro; Barragán, Patricia; Pérez de Tudela, Ricardo; Delgado Tellez, Laura; Medina, Juan S.Artículo
5-Jul-2011Direct Path-Integral Monte-Carlo simulations of H_5^+/D_5^+ clustersBarragán, Patricia; Pérez de Tudela, Ricardo; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoPóster
10-Jul-2011Direct PIMC dynamics simulations of H_5^+/D_5^+ clustersProsmiti, Rita; Barragán, Patricia; Pérez de Tudela, Ricardo; Villarreal, Pablo; Delgado Barrio, GerardoPóster
2012Direct PIMC simulations of H5+/D5+ clusters: thermal equilibrium state properties.Prosmiti, Rita; Barragán, Patricia; Pérez de Tudela, Ricardo; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
2012Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H 7 + clusterBarragán, Patricia; Prosmiti, Rita; Wang, Yimin; Bowman, Joel M.Artículo
11-Jul-2013Full-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 surfaceBarragán, Patricia; Pérez de Tudela, Ricardo; Qu, Chen; Prosmiti, Rita; Bowman, Joel M.Artículo
2011Infrared spectrum of H5 + and D5 +: The simplest shared-proton modelSanz-Sanz, Cristina; Roncero, Octavio; Valdés, Álvaro; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo; Barragán, Patricia; Aguado, AlfredoArtículo
2011Internal proton transfer and H2 rotations in the H 5 + cluster: A marked influence on its thermal equilibrium statePérez de Tudela, Ricardo; Barragán, Patricia; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
28-Sep-2010Isotope effect in ion-atom collisionsBarragán, Patricia; Errea, L.F.; Méndez, L.; Rabadán, I.Artículo
14-Jul-2010A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional formAguado, Alfredo; Barragán, Patricia; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo; Roncero, OctavioArtículo
29-Jun-2010Path Integral Monte Carlo calculations on atomic clustersPérez de Tudela, Ricardo; Márquez-Mijares, Maykel; Barragán, Patricia; González-Lezana, Tomás; Prosmiti, Rita; Roncero, Octavio; Miret-Artés, Salvador; Villarreal, Pablo; Delgado Barrio, GerardoComunicación de congreso
2011Path integral Monte Carlo studies of the H5 +/D 5 + clusters using ab initio potential surfacesBarragán, Patricia; Pérez de Tudela, Ricardo; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
2012Theoretical simulations of the vibrational predissociation spectra of H 5 +and D 5 +clustersValdés, Álvaro; Barragán, Patricia; Sanz-Sanz, Cristina; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
2-Aug-2010Toward a realistic density functional theory potential energy surface for the H5+ clusterBarragán, Patricia; Prosmiti, Rita; Roncero, Octavio; Aguado, Alfredo; Villarreal, Pablo; Delgado Barrio, GerardoArtículo

Showing results 1 to 15 of 15