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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
openAccessAguado.pdf.jpg2012Simulation of the infrared predissociation spectra of H 5 +Aguado, Alfredo CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
openAccess2011Simulation of the infrared predissociation spectra of H5+Aguado, Alfredo CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID comunicación de congreso
openAccessSpin–orbit transitions.pdf.jpg23-ago-2022Spin-orbit transitions in the N + (P J A 3) + H 2 → NH+(X 2Π,4ς-) + H(2S) reaction, using adiabatic and mixed quantum-adiabatic statistical approachesGómez-Carrasco, Susana; Félix-González, Daniel CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
openAccessLara.pdf.jpg2000State-to-state reaction probabilities using bond coordinates: application to the Li+HF(v,j) collisionLara, Manuel; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2013Sulfur chemistry in the interstellar medium: The effect of vibrational excitation of H2 in the reaction S++H2 →sH++HZanchet, Alexandre CSIC ORCID; Agúndez, Marcelino CSIC ORCID; Herrero, Víctor J. CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
openAccessSanz.pdf.jpg2001The lowest triplet state 3A′ of H3 +: Global potential energy surface and vibrational calculationsSanz, Cristina; Roncero, Octavio CSIC ORCID ; Tablero, César; Aguado, Alfredo CSIC ORCID; Paniagua, Miguelartículo
openAccessPhotodissociation.pdf.jpg21-mar-2017The photodissociation of HCN and HNC: effects on the HNC/HCN abundance ratio in the interstellar mediumAguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID artículo
openAccessChemPhysChem_MazoSevillano_et_al_2023.pdf.jpg1-ago-2023The role of dimers in complex forming reactions at low temperature: full dimension potential and dynamics of (H2 CO)2 +OH reactionMazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg25-jun-2017Theoretical insights on complex organic molecules cold chemistry : the reactions of methanol+OH and formaldehyde+OH in gas phaseZanchet, Alexandre CSIC ORCID; Mazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID comunicación de congreso
openAccessCongreso (1).pdf.jpg13-feb-2013Theoretical study of the reaction of S+ with vibrationally excitd H2Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Agúndez, Marcelino CSIC ORCIDcomunicación de congreso
openAccessThree states global fittings.pdf.jpg9-sep-2020Three states global fittings with improved long range: singlet and triplet states of H+3Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Sanz-Sanz, Cristina CSIC ORCIDartículo
openAccessJCP-Barragan-etal-2010.pdf.jpg2-ago-2010Toward a realistic density functional theory potential energy surface for the H5+ clusterBarragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
openAccessTrans-cis.pdf.jpg22-nov-2016Trans-cis molecular photoswitching in interstellar spaceCuadrado, S.; Goicoechea, Javier R. CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Tercero, Belén CSIC ORCID; Cernicharo, José CSIC ORCID artículo
openAccessTransition_state_dynamics_JChemPhys_2004.pdf.jpg22-nov-2004Transition state dynamics of OHF on several electronic states: Photodetachment spectrum of OHF- and conical intersectionsGonzález-Sánchez, Lola; Gómez Carrasco, Susana CSIC ORCID CVN; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, Octavio CSIC ORCID artículo
openAccessTransition_state_spectroscopy_revised.pdf.jpg2-feb-2007Transition state spectroscopy of open shell systems: Angle-resolved photodetachment spectra for the adiabatic singlet states of OHFGómez Carrasco, Susana CSIC ORCID CVN; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
openAccessTransition_state_spectroscopy_JChemPhys_2003.pdf.jpg15-nov-2003Transition state spectroscopy of the excited electronic states of Li–HFAguado, Alfredo CSIC ORCID; Paniagua, Miguel; Sanz, Cristina; Roncero, Octavio CSIC ORCID artículo
openAccessPaniagua.pdf.jpg1998Transition state spectroscopy on the Li-HF systemPaniagua, Miguel; Aguado, Alfredo CSIC ORCID; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
openAccessPaniagua.pdf.jpg1999Transition state spectroscopy via infrared excitation of Li⋯HF and Li⋯DF van der Waals precursorsPaniagua, Miguel; Aguado, Alfredo CSIC ORCID; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
closedAccessaccesoRestringido.pdf.jpg2011Understanding structure, size, and charge effects for the H2 dissociation mechanism on planar gold clustersZanchet, Alexandre CSIC ORCID; Dorta-Urra, A. CSIC; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
openAccessaccesoRestringido.pdf.jpg14-may-2019Zero- And High-Pressure Mechanisms in the Complex Forming Reactions of OH with Methanol and Formaldehyde at Low TemperaturesNaumkin, F.; Mazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Suleimanov, Yury V.; Roncero, Octavio CSIC ORCID artículo