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Browsing by Author Prosmiti, Rita

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closedAccessaccesoRestringido.pdf.jpg2019A Bottom-Up Approach for Ion-Water Interactions: From Clusters to BulkRodríguez-Segundo, R.; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCIDcapítulo de libro
closedAccessaccesoRestringido.pdf.jpg2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Roncero, Octavio CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2013A DFT based potential energy surface for the H7+ clusterBarragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg4-Jul-2010A global potential surface for H+3 from DFT calculationsBarragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID póster de congreso
openAccess2012A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clustersPérez de Tudela, Ricardo CSIC ORCID; López Durán, David; Lara Castells, María Pilar de ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo CSIC ORCIDartículo
openAccessProsmiti.pdf.jpg24-Feb-2010A realistic DFT potential energy surface for H+5 clusterProsmiti, Rita CSIC ORCIDcomunicación de congreso
openAccessASystematic Protocol.pdf.jpg30-Mar-2018A systematic protocol for benchmarking guest–host interactions by first‐principles computations: capturing CO2 in clathrate hydratesArismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessProsmiti2.pdf.jpg9-Feb-2012A theoretical study of H+5: potential surfaces and vibrational dynamicsProsmiti, Rita CSIC ORCIDcomunicación de congreso
openAccessGetPDFServlet.pdf.jpg5-Jan-2005Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
openAccessDelgado.pdf.jpg2011Ab initio characterization of the Ne-I2 van der Waals complex: Intermolecular potentials and vibrational bound statesDelgado Tellez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg5-Jul-2011Ab initio Cheracterization of NeI2 vdW complexDelgado Téllez, Laura; Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID póster de congreso
openAccessAb initio interaction potentials.pdf.jpg2009Ab initio interaction potentials for X and B excited states of He–I2 for studying dynamicsProsmiti, Rita CSIC ORCID; García Gutiérrez, Leonor; Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg4-Jul-2010Ab initio PIMC/CMC calculations: Quantum and thermal effects in H+5 clusterProsmiti, 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
openAccessAbInitio.pdf.jpg10-Sep-2014Ab initio potential energy curves of the valence, Rydberg and ion-pair states of iodine monochloride, IClKalemos, Apostolos; Prosmiti, Rita CSIC ORCIDartículo
openAccessHeI2_complex_JChemPhys_2007.pdf.jpg22-May-2007Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Werner, Hans-Joachimartículo
openAccessAb_initio_JChemPhys_2007.pdf.jpg29-Jun-2007Ab initio vibrational predissociation dynamics of He-I2(B) complexValdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Lemoine, Didier; Lepetit, Brunoartículo
openAccessAb initio-based interactions.pdf.jpg11-Jun-2019Ab initio-based interactions and spectroscopic characterization of Ar containing cationic speciesMontes de Oca, Judit; Arismendi-Arrieta, D.J. CSIC ORCID; Sanz, C.; Prosmiti, Rita CSIC ORCIDpóster de congreso
closedAccessaccesoRestringido.pdf.jpg2007Additive intermolecular potentials from ab initio calculations: Trends in Rg2-dihalogen van der Waals trimersDiez-Pardos, Carmen; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2012An ab initio study of the e 3Π g state of the iodine moleculeKalemos, Apostolos; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessAnionic.pdf.jpg26-Apr-2015Anionic He*- and He2*- Species in He Clusters: Large Anharmonic and Anisotropic EffectsRodríguez-Cantano, Rocío CSIC; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Huber, S.E.; Mauracher, A.; Gianturco, Franco A.comunicación de congreso