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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
openAccess | | 2011 | Communication: Theoretical exploration of AuH2, D2, and HD reactive collisions | Dorta-Urra, A. CSIC; Zanchet, Alexandre CSIC ORCID; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Armentrout, P.B. | artículo |
openAccess | | 26-oct-2006 | Coupled 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 |
closedAccess | | 6-feb-2015 | Density-difference-driven optimized embedding potential method to study the spectroscopy of Br2 in water clusters | Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID; Batista-Romero, F.A.; Bernal-Uruchurtu, M.I.; Hernández-Lamoneda, Ramón | artículo |
openAccess | | dic-2009 | A density-division embedding potential inversion technique | Roncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Villarreal, Pablo CSIC ORCID; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 29-abr-2014 | Depolarizing collisions with hydrogen: Neutral and singly ionized alkaline earths | Manso Sáinz, Rafael; Roncero, Octavio CSIC ORCID ; Sanz-Sanz, Cristina CSIC ORCID; Aguado, Alfredo CSIC ORCID; Asensio Ramos, Andrés; Trujillo Bueno, J. | preprint |
closedAccess | | ago-2009 | Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examples | Zanchet, 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 CVN | artículo |
openAccess | | 8-sep-2004 | Direct versus resonances mediated F+OH collisions on a new 3A'' potential energy surface | Gómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Alvariño, José M.; Hernández, M. Luz; Paniagua, Miguel | artículo |
openAccess | | 2012 | Dynamically biased statistical model for the ortho/para conversion in the H 2+H 3 + → H 3 + + H 2 reaction | Gómez 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 |
closedAccess | | 2004 | Dynamics and kinetics of the F + OH reaction on the ground triplet potential energy surface | Gómez Carrasco, Susana CSIC ORCID CVN; González-Sánchez, Lola; Aguado, Alfredo CSIC ORCID; Paniagua, Miguel; Roncero, Octavio CSIC ORCID ; Hernández, M. Luz; Alvariño, José M. | artículo |
openAccess | | 8-jul-2014 | Electron transport signature of H2 dissociation on atomic gold wires | Zanchet, 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 CVN | artículo |
openAccess | | 22-sep-2005 | F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfaces | Gómez Carrasco, Susana CSIC ORCID CVN; Roncero, Octavio CSIC ORCID ; González-Sánchez, Lola; Hernández, M. Luz; Alvariño, José M.; Paniagua, Miguel; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 8-sep-2017 | Full dimensional potential energy surface and low temperature dynamics of the H2CO + OH → HCO + H2O reaction | Zanchet, 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 |
openAccess | | 2013 | Full dimensional potential energy surface for the ground state of H 4 + system based on triatomic-in-molecules formalism | Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Paniagua, Miguel; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 2000 | Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 11A′ potential | Aguado, Alfredo CSIC ORCID; Roncero, Octavio CSIC ORCID ; Tablero, César; Sanz, Cristina; Paniagua, Miguel | artículo |
openAccess | | 2011 | Infrared spectrum of H5 + and D5 +: The simplest shared-proton model | Sanz-Sanz, Cristina CSIC ORCID; Roncero, Octavio CSIC ORCID ; Valdés, Álvaro CSIC ORCID; Prosmiti, Rita CSIC ORCID; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Barragán, Patricia CSIC ORCID; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 10-nov-2008 | An inversion technique for the calculation of embedding potentials | Roncero, Octavio CSIC ORCID ; Lara Castells, María Pilar de CSIC ORCID ; Villarreal, Pablo CSIC ORCID; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 29-sep-2016 | Ionization fraction and the enhanced sulfur chemistry in Barnard 1 | Fuente, A.; Cernicharo, José CSIC ORCID ; Roueff, E.; Gerin, M.; Pety, J.; Marcelino, Nuria CSIC ORCID; Bachiller, R.; Lefloch, Bertrand; Roncero, Octavio CSIC ORCID ; Aguado, Alfredo CSIC ORCID | artículo |
openAccess | | 14-nov-2017 | Is the Gas-phase OH+H2CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling Study | Ocaña, 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 ORCID | artículo |
openAccess | | 28-sep-2018 | Low temperature reaction dynamics for CH3OH + OH collisions on a new full dimensional potential energy surface | Roncero, Octavio CSIC ORCID ; Zanchet, Alexandre CSIC ORCID; Aguado, Alfredo CSIC ORCID | artículo |
closedAccess | | 2009 | Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructures | Zanchet, Alexandre CSIC ORCID; Dorta-Urra, A. CSIC; Roncero, Octavio CSIC ORCID ; Flores, F.; Tablero, César; Paniagua, Miguel; Aguado, Alfredo CSIC ORCID | artículo |