Mostrando resultados 20 a 32 de 32
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| Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
| openAccess |  | 5-may-2020 | Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations | Vítek, A.; Arismendi-Arrieta, D.J. CSIC ORCID; Šarmanová, M.; Kalus, R.; Prosmiti, Rita CSIC ORCID | artículo |
| openAccess |  | 29-may-2020 | He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions | Yanes-Rodríguez, Raquel CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| openAccess |  | 25-oct-2016 | High Pressure Structural Transitions in Kr Clathrate-Like Clusters | Arismendi-Arrieta, D.J. CSIC ORCID; Vítek, Aleš; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 11-nov-2015 | i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions | Arismendi-Arrieta, D.J. CSIC ORCID; Riera, Marc; Bajaj, Pushp; Prosmiti, Rita CSIC ORCID; Paesani, F. | artículo |
| openAccess |  | 10-sep-2016 | Modeling structural and transport properties of pure liquid water and aqueous ion systems | Prosmiti, Rita CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Fanourgakis, George S. CSIC; Medina, J. S. CSIC | comunicación de congreso |
| openAccess |  | 2015 | Modeling the water-halide ion interactions | Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCID; Paesani, F. | artículo |
| closedAccess |  | 27-ene-2015 | Quantum dynamics of carbon dioxide encapsulated in the cages of the si clathrate hydrate: Structural guest distributions and cage occupation | Valdés, Álvaro CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
| closedAccess |  | 2014 | Simulating liquid water for determining its structural and transport properties | Arismendi-Arrieta, D.J. CSIC ORCID; Medina, J. S. CSIC; Fanourgakis, George S. CSIC; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
| closedAccess |  | 27-jun-2016 | Solid-like transitions in rare-gas water clusters | Arismendi-Arrieta, D.J. CSIC ORCID; Vítek, Aleš; Prosmiti, Rita CSIC ORCID | comunicación de congreso |
| openAccess |  | 8-jul-2014 | Stability of rare gas{water clusters under pressure: the Ar and Kr case | Vítek, A.; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
| openAccess | | 2015 | Structural changes in water and Ar-water clusters under high pressure | Prosmiti, Rita CSIC ORCID; Vítek, A.; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Villarreal, Pablo CSIC ORCID; Kalus, R.; Delgado Barrio, Gerardo 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 |  | 3-feb-2015 | Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy | Wolke, C.T.; Menges, F.S.; Tötsch, N.; Gorlova, O.; Fournier, J.A.; Weddle, G.H.; Johnson, M.A.; Heine, N.; Esser, T.K.; Knorke, H.; Asmis, K.R.; McCoy, A.B.; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCID; Paesani, F. | artículo |
