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openAccess2-aminooxazole in astrophysical environments.pdf.jpg11-Mar-20212-aminooxazole in Astrophysical Environments: IR Spectra and Destruction Cross Sections for Energetic ProcessingMaté, Belén CSIC ORCID; Carrasco-Herrera, Ricardo; Timón, Vicente CSIC ORCID; Tanarro, Isabel CSIC ORCID ; Herrero, Víctor J. CSIC ORCID; Carrascosa, H.; Muñoz Caro, G.M.; González-Díaz, Cristobal; Jiménez-Serra, Izaskunartículo
closedAccessaccesoRestringido.pdf.jpg25-Sep-2017A tentative ab initio structures study of methanetiol crystalline and amorphous icesTimón, Vicente CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg27-Jun-2019A theoretical approach of the ethanol adsorption on Au(100), Au(110) and Au(111) surfacesFallaque-Najar, J.; Morales-Gomero, J.C.; Timón, Vicente CSIC ORCIDartículo
openAccessAb initio0001.pdf.jpg25-Apr-2015Ab initio Study of the Interactions of Imidazole-SF6 and imidazole-CH4 ComplexesDalbouha, S. CSIC; Boussessi, R. CSIC; Timón, Vicente CSIC ORCID; Senent, María Luisa CSIC ORCID ; Komiha, N.; Jaidane, N.póster de congreso
openAccessAdsorption of volatile (1).pdf.jpg2-Sep-2019Adsorption of volatile molecules on interstellar carbonaceous dust analogsMaté, Belén CSIC ORCID; Tanarro, Isabel CSIC ORCID ; Jiménez-Redondo, Miguel CSIC ORCID; Peláez, Ramón J. CSIC ORCID; Timón, Vicente CSIC ORCID; Herrero, Víctor J. CSIC ORCIDcomunicación de congreso
openAccessAnalogs of interstellar.pdf.jpg19-Oct-2016Analogs of interstellar carbonaceous dust: processing by electron bombardment and theoretical modelingHerrero, Víctor J. CSIC ORCID; Molpeceres, Germán CSIC ORCID; Maté, Belén CSIC ORCID; Timón, Vicente CSIC ORCID; Jiménez-Redondo, Miguel CSIC ORCID; Tanarro, Isabel CSIC ORCID póster de congreso
openAccessBecquerelite.pdf.jpg10-Jul-2018Becquerelite mineral phase: Crystal structure and thermodynamic and mechanical stability by using periodic DFTColmenero, Francisco CSIC ORCID; Fernández, Ana María; Timón, Vicente CSIC ORCID; Cobos, Joaquín CSIC ORCIDartículo
openAccessBiVO3.pdf.jpg30-Oct-2017BiVO3: A Bi-based material with promising uv-visible light absorption propertiesPraveen, C. S.; Maschio, Lorenzo; Rerat, Michel; Timón, Vicente CSIC ORCID; Valant, M.artículo
openAccessMacla13_141.pdf.jpgSep-2010Cálculo de la Energía de Deformación en Epitaxias de Sulfatos con Estructura Tipo BaritaLlorens Montolio, José Manuel CSIC ORCID; Timón, Vicente CSIC ORCID; Pina, Carlos M. CSIC ORCIDartículo
openAccessCH3NCO0001.pdf.jpg11-Dec-2017CH3NCO ices: infrared spectroscopy and energetic processingMaté, Belén CSIC ORCID; Herrero, Víctor J. CSIC ORCID; Molpeceres, Germán CSIC ORCID; Timón, Vicente CSIC ORCID; Tanarro, Isabel CSIC ORCID ; Escribano, Rafael CSIC ORCID; Peláez, Ramón J. CSIC ORCID; Guillemin, Jean-Claude; Cernicharo, José CSIC ORCIDcomunicación de congreso
openAccessCrystal structure.pdf.jpg16-May-2019Crystal structure, hydrogen bonding, mechanical properties and Raman spectrum of the lead uranyl silicate monohydrate mineral kasoliteColmenero, Francisco CSIC ORCID; Plášil, Jakub; Cobos, Joaquín CSIC ORCID; Sejkora, J.; Timón, Vicente CSIC ORCID; Cejka, J.; Bonales, L. J.artículo
closedAccess15-Aug-2008Dehydroxylation mechanisms in Al3+/Fe3+ dioctahedral phyllosilicates by quantum mechanical methods with cluster modelsMolina-Montes, Esther; Timón, Vicente CSIC ORCID; Hernández-Laguna, Alfonso; Sainz-Díaz, C. Ignacio artículo
openAccessrev-Colmenero et al_uo3.pdf.jpg5-Jun-2017Density Functional Theory Study of the Thermodynamic and Raman Vibrational Properties of γ-UO3 PolymorphColmenero, Francisco CSIC ORCID; Bonales, L. J.; Cobos, Joaquín CSIC ORCID; Timón, Vicente CSIC ORCIDartículo
openAccessDFT and experimental IR spectra.pdf.jpg9-Jul-2018DFT and experimental IR spectra of adsorbed and UV-processed glycine on bentonite: a Martian studyTimón, Vicente CSIC ORCID; Moreno, Miguel Ángel CSIC; Colmenero, Francisco CSIC ORCIDcomunicación de congreso
closedAccessaccesoRestringido.pdf.jpg14-Mar-2019DFT studies of single and multiple molecular adsorption of CH 4 , SF 6 and H 2 O in Zeolitic-Imidazolate Framework (ZIF-4 and ZIF-6)El Houda.Bensiradj, N.; Timón, Vicente CSIC ORCID; Boussessi, R. CSIC; Dalbouha, S. CSIC; Senent, María Luisa CSIC ORCID artículo
openAccessEstudio0001.pdf.jpg8-Jun-2015Estudio de la adsorción de glicina en carbono amorfo hidrogenado (HAC)Timón, Vicente CSIC ORCID; Escribano, Rafael CSIC ORCID; Gálvez, Óscar CSIC ORCID; Maté, Belén CSIC ORCID; Herrero, Víctor J. CSIC ORCID; Tanarro, Isabel CSIC ORCID comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg22-Apr-2015Explicitly correlated interaction potential energy profile of imidazole + CO2 complexDalbouha, S. CSIC; Prakash, M.; Timón, Vicente CSIC ORCID; Komiha, N.; Hochlaf, M.; Senent, María Luisa CSIC ORCID artículo
openAccessExtreme negative mechanical .pdf.jpg20-Sep-2019Extreme negative mechanical phenomena in the zinc and cadmium anhydrous metal oxalates and lead oxalate dihydrateColmenero, Francisco CSIC ORCID; Timón, Vicente CSIC ORCIDartículo
openAccessVTimon0001.pdf.jpg2013Filosilicatos en el Sistema Solar: utilidad de su estudio computacionalTimón, Vicente CSIC ORCIDpóster de congreso
openAccessFull crystal structure.pdf.jpg27-Aug-2020Full crystal structure, hydrogen bonding and spectroscopic, mechanical and thermodynamic properties of mineral uranopiliteColmenero, Francisco CSIC ORCID; Plášil, J.; Timón, Vicente CSIC ORCID; Cejka, J.artículo