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Browsing by Author Prosmiti, Rita

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Showing results 1 to 20 of 75
Issue DateTitleAuthor(s)Type
2002A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limitProsmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Roncero, OctavioArtículo
2013A DFT based potential energy surface for the H7+ clusterBarragán, Patricia; Prosmiti, RitaArtículo
4-Jul-2010A global potential surface for H+3 from DFT calculationsBarragán, P.; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoPóster
2012A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clustersPérez de Tudela, Ricardo; López Durán, David; Lara Castells, María Pilar de; Prosmiti, Rita; Roncero, Octavio; Delgado Barrio, Gerardo; Gainturco, F.A.; Jellinek, J.; Villarreal, PabloArtículo
24-Feb-2010A realistic DFT potential energy surface for H+5 clusterProsmiti, RitaComunicación de congreso
9-Feb-2012A theoretical study of H+5: potential surfaces and vibrational dynamicsProsmiti, RitaComunicación de congreso
5-Jan-2005Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complexValdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
2011Ab initio characterization of the Ne-I2 van der Waals complex: Intermolecular potentials and vibrational bound statesDelgado Tellez, Laura; Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
5-Jul-2011Ab initio Cheracterization of NeI2 vdW complexDelgado Téllez, Laura; Prosmiti, Rita; Valdes, Alvaro; Villarreal, Pablo; Delgado Barrio, GerardoPóster
1-Jun-2002Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexesProsmiti, Rita; Cunha, Carlos; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
4-Jul-2010Ab initio PIMC/CMC calculations: Quantum and thermal effects in H+5 clusterProsmiti, Rita; Barragán, P.; Pérez de Tudela, Ricardo; Villarreal, Pablo; Delgado Barrio, GerardoPóster
22-May-2007Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complexValdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Werner, Hans-JoachimArtículo
29-Jun-2007Ab initio vibrational predissociation dynamics of He-I2(B) complexValdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, Gerardo; Lemoine, Didier; Lepetit, BrunoArtículo
2007Additive intermolecular potentials from ab initio calculations: Trends in Rg2-dihalogen van der Waals trimersDiez-Pardos, Carmen; Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoArtículo
2012An ab initio study of the e 3Π g state of the iodine moleculeKalemos, Apostolos; Valdes, Alvaro; Prosmiti, RitaArtículo
17-Jul-2011Calculations of the viscosities of liquid water by molecular sumulations with polarizable intearction potentialsFanourgakis, George S; Medina, J.; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoPóster
5-Jul-2011Calculations of the viscosities of pure liquid water by molecular dynamics sumulationsFanourgakis, George S; Medina, J. S.; Prosmiti, Rita; Villarreal, Pablo; Delgado Barrio, GerardoPóster
2012Determining the bulk viscosity of rigid water modelsFanourgakis, George S; Medina, J. S.; Prosmiti, RitaArtículo
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

Showing results 1 to 20 of 75