[][com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=80813]], camposKey:1420-3049 2023-07-01 The Oxygen Evolution Reaction at MoS2 Edge Sites: The Role of a Solvent Environment in DFT-Based Molecular Simulations00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=75104]], camposKey:0897-4756 2023-01-27 Supported Metal Nanohydrides for Hydrogen Storage00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=75105]], camposKey:0008-6223 2022-09-01 Infrared spectra and structures of C60Rhn+ complexes535543, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=75424]], camposKey:0360-3199 2022-05-22 Catalytic activity of Co¿Ag nanoalloys to dissociate molecular hydrogen. New insights on the chemical environment1903819050, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=65589]], camposKey:0360-3199 2021-06-17 C60Con complexes as hydrogen adsorbing materials2059420606, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=65979]], camposKey:0169-4332 2021-05-15 Adsorption of transition metal clusters on Boron-graphdiyne00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=65564]], camposKey:1432-881X 2021-04-01 Interaction of hydrogen with palladium-copper nanoalloys00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=65980]], camposKey:0169-4332 2020-10-30 Why are MoS2 monolayers not a good catalyst for the oxygen evolution reaction?00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=57561]], camposKey:1089-5639 2020-01-01 Nanoalloys of Metals Which Do Not Form Bulk Alloys: The Case of Ag-Co64686477, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=53138]], camposKey:1439-4235 2020-01-01 Reactivity of Cobalt-Fullerene Complexes towards Deuterium00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52010]], camposKey:1434-6028 2019-01-01 A DFT study of H2 adsorption on Pdn/SnO2 (110) surfaces (n = 1¿10)00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52011]], camposKey:0360-3199 2019-01-01 Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52012]], camposKey:0025-5408 2018-01-01 Hydrogen titanate nanotubes for dye sensitized solar cells applications: Experimental and theoretical study00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52015]], camposKey:0925-8388 2018-01-01 Molybdenum incorporation on AB 2 alloys-Part II. On the synergetic effects of Laves and non-Laves phases00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=53139]], camposKey:2399-6528 2017-01-01 A DFT + U study on structural, electronic, vibrational and thermodynamic properties of TiO2 polymorphs and hydrogen titanate: tuning the Hubbard 'U-term'0550060, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52013]], camposKey:0169-4332 2017-01-01 Comparison of standard DFT and Hubbard-DFT methods in structural and electronic properties of TiO 2 polymorphs and H-titanate ultrathin sheets for DSSC application118123, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52016]], camposKey:1463-9076 2017-01-01 Hydrogen divacancy diffusion: a new perspective on H migration in MgH2 materials for energy storage00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52014]], camposKey:0169-4332 2017-01-01 Theoretical study of new potential semiconductor surfaces performance for dye sensitized solar cell usage: TiO2-B (001), (100) and H2Ti3O7 (100)00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52017]], camposKey:2046-2069 2016-01-01 A microscopic level insight into Pt doped TiZn (001) surface for hydrogen energy storage usage00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52018]], camposKey:1932-7447 2016-01-01 Improvement of Hydrogen Vacancy Diffusion Kinetics in MgH2by Niobium- and Zirconium-Doping for Hydrogen Storage Applications00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52019]], camposKey:1932-7447 2015-01-01 Hydrogen Adsorption and Associated Electronic and Magnetic Properties of Rh-Decorated (8,0) Carbon Nanotubes Using Density Functional Theory00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52022]], camposKey:0169-4332 2014-01-01 A DFT study of cyclopropane adsorption on Pt(1 1 1). Electronic structure and bonding00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52025]], camposKey:0360-3199 2014-01-01 A DFT study of dopant (Zr, Nb) and vacancies on the dehydrogenation on MgH2 (001) surface00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52024]], camposKey:1932-7447 2014-01-01 A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110) Surface00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52026]], camposKey:0042-207X 2014-01-01 Density functional study of acrolein adsorption on Pt (111)00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52023]], camposKey:0042-207X 2014-01-01 Electronic Structure and Bonding of Small Pd Clusters on Stoichiometric and Reduced SnO2(110) Surfaces00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52021]], camposKey:0360-3199 2014-01-01 The influence of pre-adsorbed Pt on hydrogen adsorption on B2 FeTi(111)00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52020]], camposKey:1932-7447 2014-01-01 Theoretical Study of Hydrogen Adsorption on Ru-Decorated (8,0) Single-Walled Carbon Nanotube00, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52027]], camposKey:0925-8388 2013-04-15 On the perfect MgH2(-Nb,-Zr) systems and the influence of vacancy-like defects on their structural properties. A self-consistent first principle calculations study of the electron and positron parameters188197, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52028]], camposKey:0169-4332 2012-12-15 The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure7985, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52029]], camposKey:0360-3199 2012-04-01 Hydrogen adsorption on palladium dimer decorated graphene: A bonding study66536665, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52030]], camposKey:0169-4332 2012-02-01 Adsorption of ammonia on vanadium-antimony mixed oxides36173623, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52031]], camposKey:0927-7757 2011-08-05 Theoretical and experimental studies on the adsorption of intercalant dyes on anatase and rutile7178, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52032]], camposKey:1932-7447 2011-03-17 DFT study of hydrogen adsorption on palladium decorated graphene43154323, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52033]], camposKey:0927-0256 2010-10-01 Cyclopentene (c-C5H8) adsorption on Si(0 0 1)-2 × 1 and on dimer vacancies on the surface: A theoretical study of the electronic structure and chemical bonding888894, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52034]], camposKey:0169-4332 2010-08-15 A theoretical study of c-C 5 H 8 adsorption on Ge (0 0 1)-2 × 1 and on dimer vacancies on the surface: Electronic structure and bonding62376245, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52035]], camposKey:0360-3199 2010-03-01 Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes23772384, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52036]], camposKey:1381-1169 2009-01-01 A theoretical study of cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5-) on Ni (1 1 1)2834, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52037]], camposKey:0169-4332 2008-07-15 c-C 5 H 5 on a Ni(1 1 1) surface: Theoretical study of the adsorption, electronic structure and bonding58315836, com.sigma.fs3.argos.domain.gpc.GpcArticlesRev[id=com.sigma.fs3.argos.domain.gpc.GpcArticlesRevPK[ifcactivitat=ARE, ifccomptador=52038]], camposKey:1381-1169 2008-07-01 A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface2329][][com.sigma.fs3.argos.domain.gpc.ColabRevistes[id=com.sigma.fs3.argos.domain.gpc.GpcColabRevistesPK[ifcactivitat=COL, ifccomptador=204]], com.sigma.fs3.argos.domain.gpc.ColabRevistes[id=com.sigma.fs3.argos.domain.gpc.GpcColabRevistesPK[ifcactivitat=COL, ifccomptador=203]], com.sigma.fs3.argos.domain.gpc.ColabRevistes[id=com.sigma.fs3.argos.domain.gpc.GpcColabRevistesPK[ifcactivitat=COL, ifccomptador=202]], com.sigma.fs3.argos.domain.gpc.ColabRevistes[id=com.sigma.fs3.argos.domain.gpc.GpcColabRevistesPK[ifcactivitat=COL, ifccomptador=201]], com.sigma.fs3.argos.domain.gpc.ColabRevistes[id=com.sigma.fs3.argos.domain.gpc.GpcColabRevistesPK[ifcactivitat=COL, ifccomptador=200]]][][com.sigma.fs3.argos.domain.gpc.AltresActivPers[id=com.sigma.fs3.argos.domain.gpc.GpcAltresActivPersPK[ifcactivitat=AAP, ifccomptador=494]]][][][][com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBeca[id=com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBecaPK[ifcactivitat=AAB, ifccomptador=64552]], com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBeca[id=com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBecaPK[ifcactivitat=AAB, ifccomptador=60854]]][com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBeca[id=com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBecaPK[ifcactivitat=AAB, ifccomptador=64552]], com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBeca[id=com.sigma.fs3.argos.domain.gpc.GpcAltresAjutsBecaPK[ifcactivitat=AAB, ifccomptador=60854]]][com.sigma.fs3.argos.domain.gpc.Premis[id=com.sigma.fs3.argos.domain.gpc.GpcPremisPK[ifcactivitat=PRE, ifccomptador=239]]][com.sigma.fs3.argos.domain.gpc.Premis[id=com.sigma.fs3.argos.domain.gpc.GpcPremisPK[ifcactivitat=PRE, ifccomptador=239]]][][][][][][][com.sigma.fs3.argos.domain.gpc.GpcComissioAssessor[id=com.sigma.fs3.argos.domain.gpc.GpcComissioAssessorPK[ifcactivitat=COM, ifccomptador=574]], com.sigma.fs3.argos.domain.gpc.GpcComissioAssessor[id=com.sigma.fs3.argos.domain.gpc.GpcComissioAssessorPK[ifcactivitat=COM, ifccomptador=573]]][][com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@2988764d, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@14d4b137, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@37d865d, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@65d867e0, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@f885f08, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@3e641ac7, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@51443c38, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@7785b697, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@3a38d770, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@249450d2, com.sigma.investigacion.cawdos.utilidades.CongresoYSusAsociaciones@54411d84][][][][][com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60466]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60464]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60463]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60462]]][com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60466]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60464]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60463]], com.sigma.fs3.argos.domain.gpc.EstadesFora[id=com.sigma.fs3.argos.domain.commons.ArgosPK[act=ESF, cont=60462]]][][][][com.sigma.investigacion.cawdos.entities.ayudaInvestigacion.ProjectesPPC[id=com.sigma.fs3.argos.domain.gpc.ayudasrecerca.ProjectesPPCId@5bc582], com.sigma.investigacion.cawdos.entities.ayudaInvestigacion.ProjectesPPC[id=com.sigma.fs3.argos.domain.gpc.ayudasrecerca.ProjectesPPCId@5bb9f3], com.sigma.investigacion.cawdos.entities.ayudaInvestigacion.ProjectesPPC[id=com.sigma.fs3.argos.domain.gpc.ayudasrecerca.ProjectesPPCId@414e55], com.sigma.investigacion.cawdos.entities.ayudaInvestigacion.ProjectesPPC[id=com.sigma.fs3.argos.domain.gpc.ayudasrecerca.ProjectesPPCId@464959], com.sigma.investigacion.cawdos.entities.ayudaInvestigacion.ProjectesPPC[id=com.sigma.fs3.argos.domain.gpc.ayudasrecerca.ProjectesPPCId@45eeba]][][][][][][][]
