1. DIGITAL.CSIC

Roncero, Octavio

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citations (12).jfif picture
 
Firma en Digital.CSIC (*)
Roncero, Octavio
 
Otras firmas
Roncero, Octavio
 
Centro o Instituto
CSIC - Centro de Física Miguel A. Catalán - Instituto de Física Fundamental (CFMAC-IFF)
 
Especialización
My scientific interest focuss on quantum molecular dynamics, for the description of collisional as well as photoinitiated processes, involving reactivity and non adiabatic transitions. To this aim I have developed methods and codes for studying quantum dynamics (such as wave packets, time independent close coupling methods, bound states, etc), and for the obtaining of potential energy surfaces (adiabatic surface fitting, diabatization techniques to get coupled diabatic electronic states, embedding techniques,etc).
 
Email
oroncero@imaff.cfmac.csic.es
 
ORCID
 
Perfil en Google Scholar
 
WoS ResearcherID - Publons
 
Scopus AuthorID
 
Otros - ResearchGate
 
Otros identificadores (con url)
 

Publications

Resultados 61-80 de 155.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
61openAccessAguado.pdf.jpg2000Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 11A′ potentialAguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Tablero, César; Sanz, Cristina; Paniagua, Miguelartículo
62openAccessZanchet_2013_ApJ_766_80.pdf.jpg11-mar-2013H2(v = 0,1) + C+(2 P) → H+CH + state-to-state rate constants for chemical pumping models in astrophysical mediaZanchet, Alexandre CSIC ORCID; Godard, B.; Bulut, Niyazi; Roncero, Octavio CSIC ORCID ; Halvick, P.; Cernicharo, José CSIC ORCID artículo
63openAccessHyperfine.pdf.jpg7-jul-2016Hyperfine excitation of OH+ by HLique, François; Bulut, Niyazi; Roncero, Octavio CSIC ORCID artículo
64openAccessHyperfine excitation.pdf.jpg12-jun-2020Hyperfine excitation of SH+by HLique, François; Zanchet, Alexandre CSIC ORCID; Bulut, N.; Goicoechea, Javier R. CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
65closedAccessaccesoRestringido.pdf.jpg2000Improved diatomics-in-molecule perturbation theory for the ground-state potential energy surface of ArI2 1Buchachenko, Alexei A.; Roncero, Octavio CSIC ORCID ; Stepanov, N.F.artículo
66openAccessSanz.pdf.jpg2011Infrared spectrum of H5 + and D5 +: The simplest shared-proton modelSanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
67openAccessInversion_technique_JChemPhys_2008.pdf.jpg10-nov-2008An inversion technique for the calculation of embedding potentialsRoncero, Octavio CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
68openAccessIonization.pdf.jpg29-sep-2016Ionization fraction and the enhanced sulfur chemistry in Barnard 1Fuente, A.; Cernicharo, José CSIC ORCID ; Roueff, E.; Gerin, M.; Pety, J.; Marcelino, Nuria CSIC ORCID; Bachiller, R.; Lefloch, Bertrand; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
69openAccessIs the Gas-phase.pdf.jpg14-nov-2017Is the Gas-phase OH+H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling StudyOcaña, A. J.; Jiménez, E.; Ballesteros, B.; Canosa, André; Antiñolo, M.; Albaladejo, J.; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Mazo-Sevillano, Pablo del CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
70openAccessrovibH3pls_corrected.pdf.jpg14-feb-2018Limitations of a Theoretical Method to Calculate the Rovibrational Spectrum of Trimers: H 3+Márquez-Mijares, M.; Roncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; González-Lezana, Tomás CSIC ORCID artículo
71openAccessLow Temperature.pdf.jpg28-sep-2018Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surfaceRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
72closedAccess2009Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructuresZanchet, Alexandre CSIC ORCID; Dorta-Urra, A. CSIC; Roncero, Octavio CSIC ORCID ; Flores, F.; Tablero, César; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
73openAccessNature.pdf.jpg16-oct-2017Nature of the guest-host interactions for dibromine in the T, P, and H clathrate cagesBatista-Romero, F.A.; Pajón-Suárez, P.; Roncero, Octavio CSIC ORCID ; Hernández-Lamoneda, Ramónartículo
74openAccessNear-resonant effects.pdf.jpg8-mar-2021Near-resonant effects in the quantum dynamics of the H + H 2 + → H 2 + H+charge transfer reaction and isotopic variantsSanz-Sanz, Cristina CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
75openAccessRoncero_1968.pdf.jpg1968Necesidad urgente de una hazaña en investigacion : Veinte millones de pesetas para paricipar en la aventura de la AntártidaRoncero, Octavio CSIC ORCID ; Ballester i Nolla, Antoniartículo de periódico
76closedAccessbieler.pdf.jpg15-sep-2010NeCl2 and ArCl2: transition from direct vibrational predissociation to intramolecular vibrational relaxation and electronic nonadiabatic effects†Bieler, Craig R.; Janda, Kenneth C.; Hernández Lamoneda, Ramón; Roncero, Octavio CSIC ORCID artículo
77openAccessNeural network potential.pdf.jpg2-mar-2021Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H2CO + OH reactionMazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
78openAccessJCP-Aguado-etal-2010.pdf.jpg14-jul-2010A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional formAguado, Alfredo CSIC ORCID; Barragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
79closedAccessaccesoRestringido.pdf.jpg2012New trends in atomic and molecular clusters (in honour of Gerardo Delgado-Barrio)Villarreal, Pablo CSIC ORCID; Miret-Artés, Salvador CSIC ORCID; Roncero, Octavio CSIC ORCID ; Campos-Martínez, José CSIC ORCIDartículo
80openAccessNon-adiabatic.pdf.jpg17-dic-2015Non-adiabatic couplings and dynamics in proton transfer reactions of H n + systems: Application to H 2 + H 2 + → H + H 3 + collisionsSanz-Sanz, Cristina CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Naumkin, F.artículo