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Browsing by Author Timón, Vicente

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closedAccessaccesoRestringido.pdf.jpg25-Sep-2017A tentative ab initio structures study of methanetiol crystalline and amorphous icesTimón, Vicente comunicación 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 artículo
openAccessAb initio0001.pdf.jpg25-Apr-2015Ab initio Study of the Interactions of Imidazole-SF6 and imidazole-CH4 ComplexesDalbouha, S. ; Boussessi, R. ; Timón, Vicente ; Senent, María Luisa  ; Komiha, N.; Jaidane, N.póster de congreso
openAccessAdsorption of volatile (1).pdf.jpg2-Sep-2019Adsorption of volatile molecules on interstellar carbonaceous dust analogsMaté, Belén ; Tanarro, Isabel  ; Jiménez-Redondo, Miguel ; Peláez, Ramón J. ; Timón, Vicente ; Herrero, Víctor J. comunicación de congreso
openAccessAnalogs of interstellar.pdf.jpg19-Oct-2016Analogs of interstellar carbonaceous dust: processing by electron bombardment and theoretical modelingHerrero, Víctor J. ; Molpeceres, Germán ; Maté, Belén ; Timón, Vicente ; Jiménez-Redondo, Miguel ; Tanarro, Isabel  póster de congreso
openAccessSupplementary Material.pdf.jpg10-Jul-2018Becquerelite mineral phase: Crystal structure and thermodynamic and mechanical stability by using periodic DFTColmenero, Francisco ; Fernández, Ana María; Timón, Vicente ; Cobos, Joaquín artículo
openAccessBiVO3.pdf.jpg30-Oct-2017BiVO3: A Bi-based material with promising uv-visible light absorption propertiesPraveen, C. S.; Maschio, Lorenzo; Rerat, Michel; Timón, Vicente ; Valant, M.artículo
openAccessMacla13_141.pdf.jpgSep-2010Cálculo de la Energía de Deformación en Epitaxias de Sulfatos con Estructura Tipo BaritaLlorens Montolio, José Manuel ; Timón, Vicente ; Pina, Carlos M. artículo
openAccessCH3NCO0001.pdf.jpg11-Dec-2017CH3NCO ices: infrared spectroscopy and energetic processingMaté, Belén ; Herrero, Víctor J. ; Molpeceres, Germán ; Timón, Vicente ; Tanarro, Isabel  ; Escribano, Rafael ; Peláez, Ramón J. ; Guillemin, J. C.; Cernicharo, José comunicación 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 ; Plášil, Jakub; Cobos, Joaquín ; Sejkora, J.; Timón, Vicente ; 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 ; 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 ; Bonales, L. J.; Cobos, Joaquín ; Timón, Vicente artículo
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 ; Moreno, Miguel Ángel ; Colmenero, Francisco comunicación 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 ; Boussessi, R. ; Dalbouha, S. ; Senent, María Luisa  artículo
openAccessEstudio0001.pdf.jpg8-Jun-2015Estudio de la adsorción de glicina en carbono amorfo hidrogenado (HAC)Timón, Vicente ; Escribano, Rafael ; Gálvez, Óscar ; Maté, Belén ; Herrero, Víctor J. ; Tanarro, Isabel  comunicación de congreso
closedAccessaccesoRestringido.pdf.jpg22-Apr-2015Explicitly correlated interaction potential energy profile of imidazole + CO2 complexDalbouha, S. ; Prakash, M.; Timón, Vicente ; Komiha, N.; Hochlaf, M.; Senent, María Luisa  artículo
openAccessExtreme negative mechanical .pdf.jpg20-Sep-2019Extreme negative mechanical phenomena in the zinc and cadmium anhydrous metal oxalates and lead oxalate dihydrateColmenero, Francisco ; Timón, Vicente artículo
openAccessVTimon0001.pdf.jpg2013Filosilicatos en el Sistema Solar: utilidad de su estudio computacionalTimón, Vicente póster de congreso
openAccessSUPPLEMENTARY INFORMATION.pdf.jpg27-Aug-2020Full crystal structure, hydrogen bonding and spectroscopic, mechanical and thermodynamic properties of mineral uranopiliteColmenero, Francisco ; Plášil, J.; Timón, Vicente ; Cejka, J.artículo
closedAccess21-Oct-2004Hydrogen bonding and vibrational properties of hydroxy groups in the crystal lattice of dioctahedral clay minerals by means of first principles calculationsBotella, Vicente ; Timón, Vicente ; Escamilla-Roa, E. ; Hernández-Laguna, Alfonso; Sainz-Díaz, C. Ignacio artículo