1. DIGITAL.CSIC

Roncero, Octavio

Colaboraciones Ver estadísticas de uso Alertas por Email RSS

Perfil

citations (12).jfif picture
 
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
 
Perfil en Google Scholar
 
WoS ResearcherID - Publons
 
Scopus AuthorID
 
Otros - ResearchGate
 
Otros identificadores (con url)
 

Publications

Refined By:
Fulltext:  With Fulltext
Autor:  Roncero, Octavio

Resultados 101-120 de 120.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
101openAccessPhotodissociation.pdf.jpg21-mar-2017The photodissociation of HCN and HNC: effects on the HNC/HCN abundance ratio in the interstellar mediumAguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID artículo
102openAccessChemPhysChem_MazoSevillano_et_al_2023.pdf.jpg1-ago-2023The role of dimers in complex forming reactions at low temperature: full dimension potential and dynamics of (H2 CO)2 +OH reactionMazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
103openAccessnitrogen_chemistry.pdf.jpg21-jun-2022The role of highly vibrationally excited H2 initiating the N chemistry: Quantum study and 3-sigma detection of NH emission in the Orion Bar PDRGoicoechea, Javier R. CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
104openAccessDelgado.pdf.jpg1992Theoretical approaches to study the vibrational predissociation of van der Waals moleculesDelgado Barrio, Gerardo CSIC ORCID ; Serna, S. CSIC; Miret-Artés, Salvador CSIC ORCID; Roncero, Octavio CSIC ORCID ; Campos-Martínez, José CSIC ORCID; Villarreal, Pablo CSIC ORCIDartículo
105openAccessTheoretical_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
106openAccessTheoretical 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
107openAccessThree states global fittings.pdf.jpg9-sep-2020Three states global fittings with improved long range: singlet and triplet states of H+3Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Sanz-Sanz, Cristina CSIC ORCIDartículo
108openAccessDynamics_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
109openAccessJCP-Barragan-etal-2010.pdf.jpg2-ago-2010Toward a realistic density functional theory potential energy surface for the H5+ clusterBarragán, Patricia CSIC ORCID; Prosmiti, Rita CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Villarreal, Pablo CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID artículo
10openAccessTrans-cis.pdf.jpg22-nov-2016Trans-cis molecular photoswitching in interstellar spaceCuadrado, S.; Goicoechea, Javier R. CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Tercero, Belén CSIC ORCID; Cernicharo, José CSIC ORCID artículo
11openAccessTransition_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
12openAccessTransition_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
13openAccessTransition_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
14openAccessPaniagua.pdf.jpg1998Transition state spectroscopy on the Li-HF systemPaniagua, Miguel; Aguado, Alfredo CSIC ORCID; Lara, Manuel; Roncero, Octavio CSIC ORCID artículo
15openAccessPaniagua.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
16openAccessSiebbeles.pdf.jpg1994Vector properties in photodissociation: Quantum treatment of the correlation between the spatial anisotropy and the angular momentum polarization of the fragmentsSiebbeles, Laurens D.A.; Glass-Maujean, Michèle.; Vasyutinskii, O.S.; Beswick J. Alberto; Roncero, Octavio CSIC ORCID artículo
17openAccessVibrational effects.pdf.jpg9-jul-2021Vibrational effects in the quantum dynamics of the H + D2+ charge transfer reactionRoncero, Octavio CSIC ORCID ; Andrianarijaona, V.; Aguado, A.; Sanz-Sanz, Cristina CSIC ORCIDartículo
18openAccessJanda.pdf.jpg1996Vibrational predissociation of ArCI2: Toward the determination of the potential energy surface of the B stateJanda, Kenneth C.; Roncero, Octavio CSIC ORCID ; Halberstadt, Nadineartículo
19openAccessHalberstadt,.pdf.jpg1992Vibrational predissociation of the Ar⋯Cl2 van der Waals complex: The small molecule limit for intramolecular vibrational redistributionHalberstadt, Nadine; Serna, Santiago; Roncero, Octavio CSIC ORCID ; Janda, Kenneth C.artículo
20openAccessGómez-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