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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Publications

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Autor:  Roncero, Octavio
Autor:  Paniagua, Miguel

Resultados 1-19 de 19.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessCoupled_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
2openAccessDirect_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
3openAccessFOH_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
4openAccessSanz-Sanz.pdf.jpg2013Full dimensional potential energy surface for the ground state of H 4 + system based on triatomic-in-molecules formalismSanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
5openAccessAguado.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
6openAccessInversion_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
7openAccessPhotodetachment_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
8openAccessJCP132-034301.pdf.jpg15-ene-2010Potential energy surface and reactive collisions for the Au+H2 systemZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Omar, Salama; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
9openAccessAguado.pdf.jpg1997Potential energy surface and wave packet calculations on the Li+HF→LiF+H reactionAguado, Alfredo CSIC ORCID; Paniagua, Miguel; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
10openAccessJChemPhys_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
11openAccessLara.pdf.jpg1998Quantum stereodynamics of the Li+HF(v,j) reactive collision for different initial states of the reagentLara, Manuel; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Paniagua, Miguelartículo
12openAccessAguado.pdf.jpg1997Quantum study of the Li+HF→LiF+H reactionAguado, Alfredo CSIC ORCID; Paniagua, Miguel; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
13openAccessLara.pdf.jpg2000State-to-state reaction probabilities using bond coordinates: application to the Li+HF(v,j) collisionLara, Manuel; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
14openAccessSanz.pdf.jpg2001The lowest triplet state 3A′ of H3 +: Global potential energy surface and vibrational calculationsSanz, Cristina; Roncero, Octavio CSIC ORCID ; Tablero, César; Aguado, Alfredo CSIC ORCID; Paniagua, Miguelartículo
15openAccessTransition_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
16openAccessTransition_state_spectroscopy_revised.pdf.jpg2-feb-2007Transition state spectroscopy of open shell systems: Angle-resolved photodetachment spectra for the adiabatic singlet states of OHFGómez Carrasco, Susana CSIC ORCID CVN; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID artículo
17openAccessTransition_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
18openAccessPaniagua.pdf.jpg1998Transition state spectroscopy on the Li-HF systemPaniagua, Miguel; Aguado, Alfredo CSIC ORCID; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
19openAccessPaniagua.pdf.jpg1999Transition state spectroscopy via infrared excitation of Li⋯HF and Li⋯DF van der Waals precursorsPaniagua, Miguel; Aguado, Alfredo CSIC ORCID; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo