Mostrando resultados 36 a 55 de 56
< Anterior
Siguiente >
| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| closedAccess |  | 2013 | Reply to the >comment on 'an ab initio study of the e 3Πg state of the iodine molecule'> | Kalemos, Apostolos; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 2012 | Solar hydrogen production with semiconductor metal oxides: New directions in experiment and theory | Valdés, Álvaro CSIC ORCID; Brillet, Jeremie; Grätzel, Michael; Gudmundsdóttir, Hildur; Hansen, Heine A.; Jónsson, Hannes; Klüpfel, Peter; Kroes, Geert-Jan; Formal, Florian Le; Man, Isabela C.; Martins, Rafael S.; Nørskov, Jens K.; Rossmeisl, Jan; Sivula, Kevin; Vojvodic, Aleksandra; Zäch, Michael | artículo |
| openAccess |  | 2014 | Spectral simulations and vibrational dynamics of the fluxional H+5 cationand its isotopologues: signatures of the shared-proton motions | Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| openAccess |  | 2014 | Spectroscopy of weakly-bound complexes in highly excited electronic states: the HeI2(E3g) ion-pair state | Prosmiti, Rita CSIC ORCID; Kalemos, Apostolos; Valdés, Álvaro CSIC ORCID | artículo |
| openAccess |  | 1-oct-2020 | Structural Stability of the CO2@sI Hydrate: a Bottom‐Up Quantum Chemistry Approach on the Guest‐Cage and Inter‐Cage Interactions | Cabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 2006 | Structure and dynamics of van der Waals complexes: From triatomic to medium size clusters | Delgado Barrio, Gerardo CSIC ORCID ; López-Durán, David CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; González-Lezana, Tomás CSIC ORCID ; Villarreal, Pablo CSIC ORCID | capítulo de libro |
| openAccess |  | 1-nov-2016 | Temperature dependence of HeBr2 isomers' stability through rovibrational multiconfiguration time-dependent hartree calculations | Carrillo-Bohórquez, Orlando CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| openAccess |  | 2017 | Temperature effects on the isomer's stability of van der Waals clusters | Carrillo-Bohórquez, Orlando CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| openAccess |  | 5-ago-2019 | The smallest proton-bound dimer H+5 : Theoretical progress | Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID | artículo |
| openAccess |  | 2011 | Theoretical characterization of intermolecular vibrational states through the multi-configuration time dependent Hartree approach: The He 2,3ICl clusters | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| closedAccess |  | 2012 | Theoretical investigation of the He 4Br 2 conformers | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| openAccess |  | 2012 | Theoretical investigation of the He-I 2(E 3Π g) ion-pair state: Ab initio intermolecular potential and vibrational levels | Kalemos, Apostolos; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| openAccess |  | 12-sep-2012 | Theoretical investigation of the He-I$_2$(E) ion-pair state | Kalemos, Apostolos; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | comunicación de congreso |
| closedAccess |  | 2013 | Theoretical investigation of the infrared spectra of the H5 + and D5 + cations | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 2012 | Theoretical investigation of two H 2 molecules inside the cages of the structure H clathrate hydrate | Valdés, Álvaro CSIC ORCID; Kroes, Geert-Jan | artículo |
| closedAccess |  | 7-feb-2014 | Theoretical predictions on the role of the internal H3 + rotation in the IR spectra of the H5 + and D5 + cations | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 2012 | Theoretical simulations of the vibrational predissociation spectra of H 5 +and D 5 +clusters | Valdés, Álvaro CSIC ORCID; Barragán, Patricia CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| openAccess |  | 6-jul-2006 | A theoretical study of He2ICl van der Waals cluster | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| openAccess |  | 14-mar-2022 | Unraveling the Origin of Symmetry Breaking in H2O@C60 Endofullerene Through Quantum Computations | Carrillo-Bohórquez, Orlando CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 3-dic-2015 | Vibrational Calculations of Higher-Order Weakly Bound Complexes: The He3,4I2 Cases | Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
