Mostrando resultados 1 a 20 de 122
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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2002 | A combined classical/quantum study of the photodissociation dynamics of NeBr2(B) near the Br2(B) dissociation limit | Prosmiti, Rita  ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Roncero, Octavio | Artículo |
| 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 |
| openAccess | | 2012 | A quantum chemistry approach to energies, structures, and spectroscopy of doped helium clusters | Pérez de Tudela, Ricardo ; López Durán, David; Lara Castells, María Pilar de ; Prosmiti, Rita ; Roncero, Octavio ; Delgado Barrio, Gerardo ; Gainturco, F.A.; Jellinek, J.; Villarreal, Pablo | Artículo |
| openAccess |  | 24-feb-2010 | A realistic DFT potential energy surface for H+5 cluster | Prosmiti, Rita | Comunicación de congreso |
| embargoedAccess |  | 30-mar-2018 | A systematic protocol for benchmarking guest–host interactions by first‐principles computations: capturing CO2 in clathrate hydrates | Arismendi-Arrieta, D.J. ; Valdés, Álvaro ; Prosmiti, Rita | Artículo |
| openAccess |  | 9-feb-2012 | A theoretical study of H+5: potential surfaces and vibrational dynamics | Prosmiti, Rita | Comunicación de congreso |
| openAccess |  | 5-ene-2005 | Ab initio calculations, potential representation and vibrational dynamics of He2Br2 van der Waals complex | Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | Artículo |
| openAccess |  | 2011 | Ab initio characterization of the Ne-I2 van der Waals complex: Intermolecular potentials and vibrational bound states | Delgado Tellez, Laura; Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | Artículo |
| closedAccess |  | 5-jul-2011 | Ab initio Cheracterization of NeI2 vdW complex | Delgado Téllez, Laura; Prosmiti, Rita ; Valdés, Álvaro ; Villarreal, Pablo ; Delgado Barrio, Gerardo | Póster |
| openAccess |  | 1-jun-2002 | Ab initio ground state potential energy surfaces for Rg–Br2 (Rg = He, Ne, Ar) complexes | Prosmiti, Rita ; Cunha, Carlos; Villarreal, Pablo ; Delgado Barrio, Gerardo | 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 |
| openAccess |  | 10-sep-2014 | Ab initio potential energy curves of the valence, Rydberg and ion-pair states of iodine monochloride, ICl | Kalemos, Apostolos; Prosmiti, Rita | Artículo |
| openAccess |  | 22-may-2007 | Ab initio potential energy surface and spectrum of the B(3Π) state of the HeI2 complex | Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Werner, Hans-Joachim | Artículo |
| openAccess |  | 29-jun-2007 | Ab initio vibrational predissociation dynamics of He-I2(B) complex | Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Lemoine, Didier; Lepetit, Bruno | Artículo |
| closedAccess |  | 2007 | Additive intermolecular potentials from ab initio calculations: Trends in Rg2-dihalogen van der Waals trimers | Diez-Pardos, Carmen; Valdés, Álvaro ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo | Artículo |
| closedAccess |  | 2012 | An ab initio study of the e 3Π g state of the iodine molecule | Kalemos, Apostolos; Valdés, Álvaro ; Prosmiti, Rita | Artículo |
| openAccess |  | 26-abr-2015 | Anionic He*- and He2*- Species in He Clusters: Large Anharmonic and Anisotropic Effects | Rodríguez-Cantano, Rocío ; González-Lezana, Tomás ; Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Huber, S.E.; Mauracher, A.; Gianturco, Franco A. | Comunicación de congreso |
| openAccess |  | 12-ene-2018 | Assessing Intermolecular Interactions in Guest-Free Clathrate Hydrate Systems | León-Merino, Iván; Rodríguez-Segundo, R.; Arismendi-Arrieta, D.J. ; Prosmiti, Rita | Artículo |
| openAccess |  | 14-feb-2017 | Atomic Cluster Collisions: ISACC 2015 | Prosmiti, Rita ; Villarreal, Pablo ; Delgado Barrio, Gerardo ; Solov'yov, A. V. | Artículo |
