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openAccessAssessment of the performance.pdf.jpg11-jun-2019Assessment of the performance of density functionals to describe CO2@sI hydrate clathrate: guest-lattice effectsCabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDcomunicación de congreso
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
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
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
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
openAccessaccesoRestringido.pdf.jpg23-dic-2020Exploring CO2@sI Clathrate Hydrates as CO2Storage Agentsby Computational Density Functional ApproachesCabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessModeling of Structure.pdf.jpg8-sep-2022Modeling of Structure H Carbon Dioxide Clathrate Hydrates: Guest−Lattice Energies, Crystal Structure, and Pressure DependenciesCabrera-Ramírez, Adriana CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo
openAccessStructural stability (1).pdf.jpg1-oct-2020Structural Stability of the CO2@sI Hydrate: a Bottom‐Up Quantum Chemistry Approach on the Guest‐Cage and Inter‐Cage InteractionsCabrera-Ramírez, Adriana CSIC ORCID; Arismendi-Arrieta, D.J. CSIC ORCID; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCIDartículo