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openAccessBenchmarking interactions.pdf.jpg9-jul-2019Benchmarking interactions in guest-free/host clathrate hydratesCabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, A.; Prosmiti, Rita CSIC ORCIDcomunicación de congreso
openAccessBenchmarking the performance.pdf.jpg2017Benchmarking the performance of density-functional-based approaches on intermolecular interactions of Helium-water complexesBlanco de Paz, M. CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg17-jul-2011Calculations of the viscosities of liquid water by molecular sumulations with polarizable intearction potentialsFanourgakis, George S. CSIC; Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID póster de congreso
closedAccessaccesoRestringido.pdf.jpg5-jul-2011Calculations of the viscosities of pure liquid water by molecular dynamics sumulationsFanourgakis, George S. CSIC; Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID póster de congreso
openAccessCCSD(T) intermolecular.pdf.jpg22-ago-2003CCSD(T) intermolecular potential between He atom and CIF molecule: Comparison with experimentProsmiti, Rita CSIC ORCID; Cunha, Carlos; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
openAccessfchem-09-664693.pdf.jpg11-may-2021Computational characterization of astrophysical species: the case of noble gas hydride cationsMontes de Oca, Judit CSIC; Prosmiti, Rita CSIC ORCIDartículo
openAccessComputational density-functional.pdf.jpg22-ene-2021Computational density-functional approaches on finite-size and guest-lattice effects in CO2@sII clathrate hydrateCabrera-Ramírez, Adriana CSIC ORCID; Yanes-Rodríguez, Raquel CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessChemPhysChem_Carrillo_et_al_2023.pdf.jpg1-dic-2023Computational Energy Spectra of the H2 O@C70 EndofullereneCarrillo-Bohórquez, Orlando CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccesspccp_Yanes_Prosmiti_2023.pdf.jpg17-may-2023Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructuresYanes-Rodríguez, Raquel CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg23-feb-2015Computational investigations of the thermodynamic properties of size-selected water and Ar-water clusters: high-pressure transitionsVítek, Aleš; Arismendi-Arrieta, D.J. CSIC ORCID; Rodríguez-Cantano, Rocío CSIC; Prosmiti, Rita CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
embargoedAccessSUPPLEMENTARY INFORMATION.pdf.jpg1-jun-2023Computational molecular dynamics simulations of cationic alkali dimers solvated in He clusters: the Li 2+ caseYanes-Rodríguez, Raquel CSIC ORCID; Rodríguez-Segundo, R. CSIC; Villarreal, Pablo CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg20-jun-2014Computational study of interactions and nuclear magnetic shielding constants in linear chains of formamide clustersSánchez, M.; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
openAccessJComputChem_2023_ValdesA_et_al.pdf.jpg30-jun-2023Confining CO2 inside sI clathrate-hydrates: The impact of the CO2 -water interaction on quantized dynamicsValdés, Álvaro CSIC ORCID; Cabrera-Ramírez, Adriana CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessConfining.pdf.jpg22-jul-2015Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics studyProsmiti, Rita CSIC ORCID; Valdés, Álvaro CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCIDpóster de congreso
openAccessConfining.pdf.jpg2015Confining CO2 inside the nanocavities of the sI clathrate: a quantum dynamics studyProsmiti, Rita CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCIDartículo
openAccessmolecules_Yanes_Prosmiti_2023.pdf.jpg1-dic-2023Confining He Atoms in Diverse Ice-Phases: Examining the Stability of He Hydrate Crystals through DFT ApproachesYanes-Rodríguez, Raquel CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessDelving into guest-free.pdf.jpg13-may-2022Delving into guest-free and He-filled sI and sII clathrate hydrates: a first-principles computational studyYanes-Rodríguez, Raquel CSIC ORCID; Cabrera-Ramírez, Adriana CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessDensity-functional.pdf.jpg2017Density-functional approximations on CO2@sI clathrate hydrate interactionsArismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Determining the bulk viscosity of rigid water modelsFanourgakis, George S. CSIC; Medina, J. S. CSIC; Prosmiti, Rita CSIC ORCIDartículo
openAccessMOLLIQ_2017_809-R.pdf.jpg13-ago-2017Developing time to frequency-domain descriptors for relaxation processes: Local trendsMedina, J. S. CSIC; Arismendi-Arrieta, D.J. CSIC ORCID; Alemán, J. V.; Prosmiti, Rita CSIC ORCIDartículo
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