1. DIGITAL.CSIC

Roncero, Octavio

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Firma en Digital.CSIC (*)
Roncero, Octavio
 
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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
 
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Publications

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Autor:  Roncero, Octavio
Autor:  Bulut, Niyazi

Resultados 1-12 de 12.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessBulut.pdf.jpg2011Accurate time dependent wave packet calculations for the N+ OH reactionBulut, Niyazi; Roncero, Octavio CSIC ORCID ; Jorfi, Mohamed; Honvault, Pascalartículo
2closedAccessembargo.pdf.jpg2012Accurate Time-Dependent Wave Packet Study of the Li + H2+ Reaction and Its Isotopic VariantsAslan, E.; Bulut, Niyazi; Castillo, J.F.; Bañares, Luis CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aoiz, F. Javier CSIC ORCIDartículo
3openAccessDetailed_quantum_JChemPhys_2006.pdf.jpg6-sep-2006A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H(+) + H2 --> H2 + H(+) exchange reactionGonzález-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier CSIC ORCID; Bañares, Luis CSIC ORCIDartículo
4openAccessFormation of interstellar.pdf.jpg20-jun-2019Formation of interstellar SH+ from vibrationally excited H2: Quantum study of S+ + H2 ⇄ SH+ + H reaction and inelastic collisionZanchet, Alexandre CSIC ORCID; Lique, François; Roncero, Octavio CSIC ORCID ; Goicoechea, Javier R. CSIC ORCID; Bulut, Niyaziartículo
5openAccessaa_Rocha_et_al_2023.pdf.jpg1-jul-2023Gas phase Elemental abundances in Molecular cloudS (GEMS) VIII. Unlocking the CS chemistry: The CH + S → CS + H and C2 + S → CS + C reactionsRocha, Carlos M. R.; Roncero, Octavio CSIC ORCID ; Bulut, Niyazi; Zuchowski, Piotr; Navarro-Almaida, David; Fuente, Asuncion; Wakelam, Valentine; Loison, Jean-Christophe; Roueff, Evelyne; Goicoechea, Javier R. CSIC ORCID; Esplugues, Gisela; Beitia-Antero, Leire; Caselli, Paola; Lattanzi, Valerio; Pineda, Jaime; Le Gal, Romane; Rodriguez-Baras, Marina; Riviere-Marichalar, Pablo CSIC ORCIDartículo
6openAccessZanchet_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
7openAccessHyperfine.pdf.jpg7-jul-2016Hyperfine excitation of OH+ by HLique, François; Bulut, Niyazi; Roncero, Octavio CSIC ORCID artículo
8openAccessJChemPhys_2008.pdf.jpg3-ene-2008On the dynamics of the H(+) + D2(v=0, j=0) --> HD + D(+) reaction: A comparison between theory and experimentCarmona-Novillo, Estela CSIC; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Honvault, Pascal; Launay, Jean-Michel; Bulut, Niyazi; Aoiz, F. Javier CSIC ORCID; Bañares, Luis CSIC ORCID; Trottier, Alexandre; Wrede, Eckartartículo
9openAccessrevised-ODp.pdf.jpg20-jul-2020Possible Formation and Destruction of the OD+ Ions in the Interstellar MediumBulut, Niyazi; Roncero, Octavio CSIC ORCID ; Lique, Françoisartículo
10openAccessQuantm.pdf.jpg22-mar-2016Quantum and quasi-classical calculations for the S+ + H2(v,j) → SH+(v′,j′) + H reactive collisionsZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Bulut, Niyaziartículo
11openAccessDeuteration Reaction .pdf.jpg23-sep-2019Quantum Effects on the D + H 3 + → H2D+ + H Deuteration Reaction and Isotopic VariantsBulut, Niyazi; Aguado, Alfredo CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
12openAccessGómez-Carrasco.pdf.jpg2012Wave packet calculations on nonadiabatic effects for the O( 3P)HF( 1Σ) reaction under hyperthermal conditionsGómez Carrasco, Susana CSIC ORCID CVN; Bulut, Niyazi; Bañares, Luis CSIC ORCID; Roncero, Octavio CSIC ORCID artículo