1. DIGITAL.CSIC

Roncero, Octavio

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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
 
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Otros - ResearchGate
 
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Publications

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Fulltext:  With Fulltext
Autor:  Roncero, Octavio
Palabras Clave:  Molecular electronic states

Resultados 1-7 de 7.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessPotential_energy_surface_JChemPhys_2005.pdf.jpg23-may-2005Ab initio potential-energy surface for the reaction Ca+HCl --> CaCl+HVerbockhaven, Gilles; Sanz, Cristina; Groenenboom, Gerrit C.; Roncero, Octavio CSIC ORCID ; Avoird, Ad van derartículo
2openAccessCompetition_JChemPhys_2005.pdf.jpg15-ene-2005Competition between adiabatic and nonadiabatic fragmentation pathways in the unimolecular decay of the ArI2(B) van der Waals complexRoncero, Octavio CSIC ORCID ; Buchachenko, Alexei A.; Lepetit, Brunoartículo
3openAccessInversion_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
4openAccessPhotodetachment_JChemPhys_2004.pdf.jpg1-jul-2004Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonancesGonzález-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
5openAccessDynamics_ArBr2_JChemPhys_127_2007.pdf.jpg25-oct-2007Time and frequency resolved dynamics of ArBr2Cabrera, José; Bieler, Craig R.; McKinney, Natalie; Veer, Wytze E. van der; Pio, Jordán M.; Janda, Kenneth; Roncero, Octavio CSIC ORCID artículo
6openAccessTransition_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
7openAccessTransition_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