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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
 
ORCID
 
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Otros - ResearchGate
 
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Publications

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Autor:  Roncero, Octavio
Fecha de Publicación:  [2000 TO 2009]

Resultados 1-20 de 30.

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
2openAccess2005Adsorption and nonadiabatic processes in the photodesorption of molecular oxygen from the reduced TiO2(110) surfaceLara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Roncero, Octavio CSIC ORCID ; Krause, Jeffrey L.artículo
3openAccessJCP.pdf.jpg2001ArI2(X)→Ar+I2(B) photodissociation: Comparison between linear and T-shaped isomers dynamicsRoncero, Octavio CSIC ORCID ; Lepetit, Bruno; Beswick J. Alberto; Halberstadt, Nadine; Buchachenko, Alexei A.artículo
4openAccessBuchachenko.pdf.jpg2003Ar⋯I2: A model system for complex dynamicsBuchachenko, Alexei A.; Halberstadt, Nadine; Lepetit, Bruno; Roncero, Octavio CSIC ORCID artículo
5openAccessCollisional_JChemPhys_2005.pdf.jpg12-ago-2005Collisional and photoinitiated reaction dynamics in the ground electronic state of Ca–HClSanz, Cristina; Avoird, Ad van der; Roncero, Octavio CSIC ORCID artículo
6openAccessCompetition_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
7openAccessCoordinate_transformation_JChemPhys_2006.pdf.jpg1-ago-2006Coordinate transformation methods to calculate state-to-state reaction probabilities with wave packet treatmentsGómez Carrasco, Susana CSIC ORCID CVN; Roncero, Octavio CSIC ORCID artículo
8openAccessCoupled_diabatic_JChemPhys_2006.pdf.jpg26-oct-2006Coupled diabatic potential energy surfaces for studying the nonadiabatic dynamics at conical intersections in angular resolved photodetachment simulations of OHF- --> OHF+e-Gómez Carrasco, Susana CSIC ORCID CVN; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
9openAccessJCP131-09.pdf.jpgdic-2009A density-division embedding potential inversion techniqueRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Villarreal, Pablo CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
10openAccessDetailed_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
11openAccessDirect_versus_resonances_JChemPhys_2004.pdf.jpg8-sep-2004Direct versus resonances mediated F+OH collisions on a new 3A'' potential energy surfaceGómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Alvariño, José M.; Hernández, M. Luz; Paniagua, Miguelartículo
12openAccessLepetit.pdf.jpg2002Electronic and vibrational predissociation in Ari2 photodissociation dynamicsLepetit, Bruno; Roncero, Octavio CSIC ORCID ; Buchachenko, Alexei A.; Halberstadt, Nadineartículo
13openAccessMárquez-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
14openAccessIJQC06_revised.pdf.jpg9-may-2007Exact and quantum chemistry-like calculations in helium doped clusters: The He2Br2(X) exampleRoncero, Octavio CSIC ORCID ; Pérez de Tudela, Ricardo CSIC ORCID; Lara Castells, María Pilar de CSIC ORCID ; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCIDartículo
15openAccessBorn_Oppenheimer_JChemPhys_2008.pdf.jpg29-abr-2008Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) systemRoncero, Octavio CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Stoecklin, T.; Voronin, A.; Rayez, J. C.artículo
16openAccessFOH_JChemPhys_2005.pdf.jpg22-sep-2005F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfacesGómez Carrasco, Susana CSIC ORCID CVN; Roncero, Octavio CSIC ORCID ; González-Sánchez, Lola; Hernández, M. Luz; Alvariño, José M.; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
17openAccessAguado.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
18openAccessInversion_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
19openAccessJChemPhys_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
20openAccessPhotodetachment_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