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:  González-Lezana, Tomás

Resultados 1-13 de 13.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessAn accurate study.pdf.jpg26-abr-2012An accurate study of the dynamics of the C+OH reaction on the second excited 1^4 A'' potential energy surfaceZanchet, Alexandre CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Jorfi, Mohamed; Honvault, Pascal; Hankel, M.artículo
2openAccessSanzSanz.pdf.jpg22-mar-2012Communication: Quantum Zeno-based control mechanism for molecular fragmentationSanz-Sanz, Cristina CSIC ORCID; Sanz, Ángel S. CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador 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
4openAccessMárquez-Mijares.pdf.jpg2009Estudio teórico del espectro rovibracional del trímero de ArgonMárquez-Mijares, Maykel CSIC; Rubayo-Soneira, Jesús; Pérez de Tudela, Ricardo CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
5openAccessrovibH3pls_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
6openAccessJChemPhys_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
7openAccessRonceroI.pdf.jpg23-jun-2010A path-integral Monte Carlo study of a small cluster: The Ar trimerPérez de Tudela, Ricardo CSIC ORCID; Márquez-Mijares, Maykel CSIC; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
8openAccessJChemPhys_2005.pdf.jpg16-nov-2005Quantum approaches for the insertion dynamics of the H(+) + D2 and D(+) + H2 reactive collisionsGonzález-Lezana, Tomás CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
9openAccessSanz.pdf.jpg29-dic-2011Quantum Zeno effect: quantum shuffling and MarkovianitySanz, Ángel S. CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCIDartículo
10openAccessNe3.pdf.jpg30-abr-2018Symmetry analysis of trimers rovibrational spectra: the case of Ne3Márquez-Mijares, M.; Roncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; González-Lezana, Tomás CSIC ORCID artículo
11openAccessAr3_CPL_final.pdf.jpg20-jun-2008Symmetry assignment in the distributed Gaussian functions method to study homonuclear rotating trimersMárquez-Mijares, Maykel CSIC; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
12openAccessTheoretical_investigation_JChemPhys_2009.pdf.jpg15-abr-2009A theoretical investigation on the spectrum of the Ar trimer for high rotational excitationsMárquez-Mijares, Maykel CSIC; Pérez de Tudela, Ricardo CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Roncero, Octavio CSIC ORCID ; Miret-Artés, Salvador CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Baccarelli, Isabella; Gianturco, Franco Antonio; Rubayo-Soneira, Jesúsartículo
13openAccessTheoretical methods.pdf.jpg1-oct-2018Theoretical methods for the rotation–vibration spectra of triatomic molecules: distributed Gaussian functions compared with hyperspherical coordinatesMárquez-Mijares, M.; Roncero, Octavio CSIC ORCID ; Villarreal, Pablo CSIC ORCID; González-Lezana, Tomás CSIC ORCID artículo