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Browsing by Author Aguado, Alfredo

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Issue DateTitleAuthor(s)Type
2011Communication: Theoretical exploration of AuH2, D2, and HD reactive collisionsDorta-Urra, A.; Zanchet, Alexandre; Roncero, Octavio; Aguado, Alfredo; Armentrout, P.B.Artículo
26-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; Aguado, Alfredo; Paniagua, Miguel; Roncero, OctavioArtículo
Dec-2009A density-division embedding potential inversion techniqueRoncero, Octavio; Zanchet, Alexander; Villarreal, Pablo; Aguado, AlfredoArtículo
Aug-2009Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examplesZanchet, Alexander; Roncero, Octavio; González Lezana, Tomás; Rodríguez-López, A.; Aguado, Alfredo; Sanz, Cristina; Gómez Carrasco, SusanaArtículo
8-Sep-2004Direct versus resonances mediated F+OH collisions on a new 3A'' potential energy surfaceGómez Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Roncero, Octavio; Alvariño, José M.; Hernández, M. Luz; Paniagua, MiguelArtículo
2012Dynamically biased statistical model for the ortho/para conversion in the H2 + H3+ → H3+ + H2 reactionGómez Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Sanz-Sanz, Cristina; Zanchet, Alexandre; Roncero, OctavioArtículo
2004Dynamics and kinetics of the F + OH reaction on the ground triplet potential energy surfaceGómez Carrasco, Susana; González-Sánchez, Lola; Aguado, Alfredo; Paniagua, Miguel; Roncero, Octavio; Hernández, M. Luz; Alvariño, José M.Artículo
22-Sep-2005F+OH reactive collisions on new excited 3A'' and 3A' potential-energy surfacesGómez Carrasco, Susana; Roncero, Octavio; González-Sánchez, Lola; Hernández, M. Luz; Alvariño, José M.; Paniagua, Miguel; Aguado, AlfredoArtículo
2013Full dimensional potential energy surface for the ground state of H 4 + system based on triatomic-in-molecules formalismSanz-Sanz, Cristina; Roncero, Octavio; Paniagua, Miguel; Aguado, AlfredoArtículo
2000Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 11A′ potentialAguado, Alfredo; Roncero, Octavio; Tablero, César; Sanz, Cristina; Paniagua, MiguelArtículo
2000Global potential energy surfaces for the H+ 3 system. Analytical representation of the adiabatic ground-state 11A′ potentialAguado, Alfredo; Roncero, Octavio; Tablero, César; Sanz, Cristina; Paniagua, MiguelArtículo
2011Infrared spectrum of H5 + and D5 +: The simplest shared-proton modelSanz-Sanz, Cristina; Roncero, Octavio; Valdés, Álvaro; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo; Barragán, Patricia; Aguado, AlfredoArtículo
10-Nov-2008An inversion technique for the calculation of embedding potentialsRoncero, Octavio; Lara Castells, M. Pilar de; Villarreal, Pablo; Flores, F.; Ortega, J.; Paniagua, Miguel; Aguado, AlfredoArtículo
2009Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructuresZanchet, Alexander; Dorta-Urra, A.; Roncero, Octavio; Flores, F.; Tablero, C.; Paniagua, Miguel; Aguado, AlfredoArtículo
14-Jul-2010A new accurate and full dimensional potential energy surface of H5+ based on a triatomics-in-molecules analytic functional formAguado, Alfredo; Barragán, Patricia; Prosmiti, Rita; Delgado Barrio, Gerardo; Villarreal, Pablo; Roncero, OctavioArtículo
13-May-2010Nonadiabatic state-to-state reactive collisions among open shell reactants with conical intersections: the OH(2Π) + F(2P) example†Zanchet, Alexandre; González Lezana, Tomás; Aguado, Alfredo; Gómez Carrasco, Susana; Roncero, OctavioArtículo
1-Jul-2004Photodetachment spectrum of OHF-: Three-dimensional study of the heavy–light–heavy resonancesGonzález-Sánchez, Lola; Gómez Carrasco, Susana; Aguado, Alfredo; Paniagua, Miguel; Hernández, M. Luz; Alvariño, José M.; Roncero, OctavioArtículo
15-Jan-2010Potential energy surface and reactive collisions for the Au+H2 systemZanchet, Alexander; Roncero, Octavio; Omar, Salama; Paniagua, Miguel; Aguado, AlfredoArtículo
1997Potential energy surface and wave packet calculations on the Li+HF→LiF+H reactionAguado, Alfredo; Paniagua, Miguel; Lara, Manuel; Roncero, OctavioArtículo
16-Nov-2005Quantum approaches for the insertion dynamics of the H(+) + D2 and D(+) + H2 reactive collisionsGonzález Lezana, Tomás; Aguado, Alfredo; Paniagua, Miguel; Roncero, OctavioArtículo

Showing results 1 to 20 of 34