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:
Autor:  Zanchet, Alexandre

Resultados 1-20 de 24.

DerechosPreviewFecha Public.TítuloAutor(es)Tipo
1openAccessA comparative.pdf.jpg16-abr-2015A comparative study of the Au + H2, Au+ + H2, and Au− + H2 systems: Potential energy surfaces and dynamics of reactive collisionsDorta-Urra, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
2openAccessAn 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
3openAccessDorta.pdf.jpg2011Communication: Theoretical exploration of AuH2, D2, and HD reactive collisionsDorta-Urra, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Armentrout, P.B.artículo
4openAccessJCP131-09.pdf.jpgdic-2009A density-division embedding potential inversion techniqueRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Villarreal, Pablo CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
5closedAccessago-2009Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examplesZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; González-Lezana, Tomás CSIC ORCID ; Rodríguez-López, A.; Aguado, Alfredo CSIC ORCID; Sanz, Cristina; Gómez Carrasco, Susana CSIC ORCID CVNartículo
6openAccess2012Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reactionGómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Aguado, Alfredo CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
7openAccessElectron.pdf.jpg8-jul-2014Electron transport signature of H2 dissociation on atomic gold wiresZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Dorta-Urra, A. CSIC; Aguado, Alfredo CSIC ORCID; Martínez, José I. CSIC ORCID ; Flores, Fernando; Lorente, Nicolás CSIC ORCID CVNartículo
8openAccessFormation and Destruction.pdf.jpg20-jul-2018Formation and Destruction of SiS in SpaceZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID artículo
9openAccessFormation of interstellar.pdf.jpg20-jun-2019Formation of interstellar SH+ from vibrationally excited H2: Quantum study of S+ + H2 ⇄ SH+ + H reaction and inelastic collisionZanchet, Alexandre CSIC ORCID; Lique, François; Roncero, Octavio CSIC ORCID ; Goicoechea, Javier R. CSIC ORCID; Bulut, Niyaziartículo
10openAccessFull dimensional.pdf.jpg8-sep-2017Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reactionZanchet, Alexandre CSIC ORCID; Mazo-Sevillano, Pablo del CSIC ORCID; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Jiménez, Elena; Canosa, André; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID artículo
11openAccessZanchet_2013_ApJ_766_80.pdf.jpg11-mar-2013H2(v = 0,1) + C+(2 P) → H+CH + state-to-state rate constants for chemical pumping models in astrophysical mediaZanchet, Alexandre CSIC ORCID; Godard, B.; Bulut, Niyazi; Roncero, Octavio CSIC ORCID ; Halvick, P.; Cernicharo, José CSIC ORCID artículo
12openAccessHyperfine excitation.pdf.jpg12-jun-2020Hyperfine excitation of SH+by HLique, François; Zanchet, Alexandre CSIC ORCID; Bulut, N.; Goicoechea, Javier R. CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
13openAccessIs the Gas-phase.pdf.jpg14-nov-2017Is the Gas-phase OH+H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling StudyOcaña, A. J.; Jiménez, E.; Ballesteros, B.; Canosa, André; Antiñolo, M.; Albaladejo, J.; Agúndez, Marcelino CSIC ORCID; Cernicharo, José CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Mazo-Sevillano, Pablo del CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCIDartículo
14openAccessLow Temperature.pdf.jpg28-sep-2018Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surfaceRoncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Aguado, Alfredo CSIC ORCIDartículo
15closedAccess2009Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructuresZanchet, Alexandre CSIC ORCID; Dorta-Urra, A. CSIC; Roncero, Octavio CSIC ORCID ; Flores, F.; Tablero, César; Paniagua, Miguel; Aguado, Alfredo CSIC ORCIDartículo
16closedAccessZanchet.pdf.jpg13-may-2010Nonadiabatic state-to-state reactive collisions among open shell reactants with conical intersections: the OH(2Π) + F(2P) example†Zanchet, Alexandre CSIC ORCID; González-Lezana, Tomás CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Gómez Carrasco, Susana CSIC ORCID CVN; Roncero, Octavio CSIC ORCID artículo
17openAccessJCP132-034301.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
18openAccessQuantm.pdf.jpg22-mar-2016Quantum and quasi-classical calculations for the S+ + H2(v,j) → SH+(v′,j′) + H reactive collisionsZanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Bulut, Niyaziartículo
19openAccessGonzalez.pdf.jpg2011Quantum stereodynamics of Li + HF reactive collisions: The role of reactants polarization on the differential cross sectionGonzález-Sánchez, Lola; Vasyutinskii, O.; Zanchet, Alexandre CSIC ORCID; Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID artículo
20openAccessState-to-state chemistry.pdf.jpg11-abr-2017State-to-state chemistry and rotational excitation of CH+ in photon-dominated regionsFaure, A.; Halvick, P.; Stoecklin, T.; Honvault, Pascal; Epée Epée, M. D.; Mezei, J. Zs.; Motapon, O.; Schneider, I. F.; Tennyson, J.; Roncero, Octavio CSIC ORCID ; Bulut, N.; Zanchet, Alexandre CSIC ORCIDartículo