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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 | | 2011 | Infrared spectrum of H5 + and D5 +: The simplest shared-proton model | Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCID | artículo |
closedAccess | | 2009 | Intermolecular Ab initio potential and spectroscopy of the ground state of HeI2 complex revisited | García Gutiérrez, Leonor CSIC; Delgado Téllez, Laura; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | 22-jul-2019 | Intermolecular interactions and stability of cationic alkali-dimers in He clusters | Alharzali, N.; Berriche, H.; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCID | comunicación de congreso |
closedAccess | | 2011 | Internal proton transfer and H2 rotations in the H 5 + cluster: A marked influence on its thermal equilibrium state | Pérez de Tudela, Ricardo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |
openAccess | | 8-sep-2022 | Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest−Lattice Energies, Crystal Structure, and Pressure Dependencies | Cabrera-Ramírez, Adriana CSIC ORCID; Prosmiti, Rita CSIC ORCID | 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 |
closedAccess | | 23-jul-2017 | Modeling the ion-water interactions from rst-principle computations | Prosmiti, Rita CSIC ORCID | 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 | | 8-may-2019 | Modelling interactions for determining molecular properties of aqueous systems | Prosmiti, Rita CSIC ORCID | comunicación de congreso |
openAccess | | 21-oct-2019 | Modelling interactions for determining molecular properties of aqueous systems | Prosmiti, Rita CSIC ORCID | comunicación de congreso |
openAccess | | 2020 | Modelling interactions of alkali-cation dimers in He clusters | Alharzali, N.; Berriche, H.; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCID | artículo |
openAccess | | 11-nov-2020 | Modelling interactions of cationic dimers in He droplets: microsolvation trends in HenK2+ clusters | Alharzali, N.; Rodríguez-Segundo, R. CSIC; Prosmiti, Rita CSIC ORCID | artículo |
closedAccess | | 30-jun-2010 | Molecular dynamics simulations of liquid water models | Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | póster de congreso |
closedAccess | | 2011 | Molecular dynamics simulations of rigid and flexible water models: Temperature dependence of viscosity | Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Winter, G.; González, B.; Alemán, J. V.; Collado, C. | artículo |
closedAccess | | 2015 | MULTIMODE calculations of the infrared spectra of H7+ and D7 + using ab initio potential energy and dipole moment surfaces | Qu, Chen; Prosmiti, Rita CSIC ORCID; Bowman, Joel M. | capítulo de libro |
openAccess | | 14-jul-2010 | A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional form | Aguado, Alfredo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID | artículo |
openAccess | | ene-2006 | An overview on potential energy surfaces of rare-gas dihalogen van der Waals clusters | Delgado Barrio, Gerardo CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Villarreal, Pablo CSIC ORCID | artículo |
openAccess | | 29-jun-2010 | Path Integral Monte Carlo calculations on atomic clusters | Pérez de Tudela, Ricardo CSIC ORCID; Márquez-Mijares, Maykel CSIC; Barragán, Patricia CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | comunicación de congreso |
closedAccess | | 2011 | Path integral Monte Carlo studies of the H5 +/D 5 + clusters using ab initio potential surfaces | Barragán, Patricia CSIC ORCID; Pérez de Tudela, Ricardo CSIC ORCID; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID | artículo |