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Browsing by Author Aguado, Alfredo

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RightsPreviewIssue DateTitleAuthor(s)Type
openAccessA comparative.pdf.jpg16-Apr-2015A comparative study of the Au + H2, Au+ + H2, and Au− + H2 systems: Potential energy surfaces and dynamics of reactive collisionsDorta-Urra, Anais; Zanchet, Alexandre; Roncero, Octavio; Aguado, AlfredoArtículo
openAccessDorta.pdf.jpg2011Communication: Theoretical exploration of AuH2, D2, and HD reactive collisionsDorta-Urra, A.; Zanchet, Alexandre; Roncero, Octavio; Aguado, Alfredo; Armentrout, P.B.Artículo
openAccessCoupled_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; Aguado, Alfredo; Paniagua, Miguel; Roncero, OctavioArtículo
openAccessJCP131-09.pdf.jpgDec-2009A density-division embedding potential inversion techniqueRoncero, Octavio; Zanchet, Alexandre; Villarreal, Pablo; Aguado, AlfredoArtículo
openAccessDepolarizing.pdf.jpg29-Apr-2014Depolarizing collisions with hydrogen: Neutral and singly ionized alkaline earthsManso Sáinz, Rafael; Roncero, Octavio; Sanz-Sanz, Cristina; Aguado, Alfredo; Asensio Ramos, Andrés; Trujillo Bueno, J.Pre-print
closedAccessAug-2009Differential cross sections and product rotational polarization in A + BC reactions using wave packet methods: H+ D2 and Li + HF examplesZanchet, Alexandre; Roncero, Octavio; González Lezana, Tomás; Rodríguez-López, A.; Aguado, Alfredo; Sanz, Cristina; Gómez Carrasco, SusanaArtículo
openAccessDirect_versus_resonances_JChemPhys_2004.pdf.jpg8-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
openAccess2012Dynamically 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
closedAccessaccesoRestringido.pdf.jpg2004Dynamics 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
openAccessElectron.pdf.jpg8-Jul-2014Electron transport signature of H2 dissociation on atomic gold wiresZanchet, Alexandre; Roncero, Octavio; Dorta Urra, Anaís; Aguado, Alfredo; Martínez, José I.; Flores, Fernando; Lorente, N.Artículo
openAccessFOH_JChemPhys_2005.pdf.jpg22-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
openAccessSanz-Sanz.pdf.jpg2013Full 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
openAccessAguado.pdf.jpg2000Global 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
openAccessSanz.pdf.jpg2011Infrared 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
openAccessInversion_technique_JChemPhys_2008.pdf.jpg10-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
closedAccess2009Mechanism of molecular hydrogen dissociation on gold chains and clusters as model prototypes of nanostructuresZanchet, Alexandre; Dorta-Urra, A.; Roncero, Octavio; Flores, F.; Tablero, César; Paniagua, Miguel; Aguado, AlfredoArtículo
openAccessJCP-Aguado-etal-2010.pdf.jpg14-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
closedAccessZanchet.pdf.jpg13-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
openAccessOH.pdf.jpg19-May-2014OH+in astrophysical media: State-to-state formation rates, einstein coefficients and inelastic collision rates with HeGómez-Carrasco, Susana; Godard, Benjamin; Lique, François; Bulut, Niyazi; Kł os, Jacek; Roncero, Octavio; Aguado, Alfredo; Aoiz, F. Javier; Castillo, Jesús F.; Goicoechea, Javier R.; Etxaluze, Mireya; Cernicharo, JoséPre-print
openAccessPhotodetachment_JChemPhys_2004.pdf.jpg1-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