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dc.contributor.authorGarcía Jambrina, Pablo 
dc.contributor.authorLara, Manuel
dc.contributor.authorAoíz Moleres, Francisco Javier
dc.date.accessioned2025-07-16T10:48:48Z
dc.date.available2025-07-16T10:48:48Z
dc.date.issued2021
dc.identifier.citationP. G. Jambrina, Manuel Lara, F. J. Aoiz; Signature of shape resonances on the differential cross sections of the S(1D)+H2 reaction. J. Chem. Phys. 28 March 2021; 154 (12): 124304. https://doi.org/10.1063/5.0042967es_ES
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10366/166501
dc.description.abstract[EN] Shape resonances appear when the system is trapped in an internuclear potential well after tunneling through a barrier. They manifest as peaks in the collision energy dependence of the cross section (excitation function), and in many cases, their presence can be observed experimentally. High-resolution crossed-beam experiments on the S(1D) + H2(j = 0) reaction in the 0.81–8.5 meV collision energy range reaction revealed non-monotonic behavior and the presence of oscillations in the reaction cross section as a function of the collision energy, as predicted by quantum mechanical (QM) calculations. In this work, we have analyzed the effect of shape resonances on the differential cross sections for this insertion reaction by performing additional QM calculations. We have found that, in some cases, the resonance gives rise to a large enhancement of extreme backward scattering for specific final states. Our results also show that, in order to yield a significant change in the state-resolved differential cross section, the resonance has to be associated with constructive interference between groups of partial waves, which requires not getting blurred by the participation of many product helicity states.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenges_ES
dc.publisherAIP Publishinges_ES
dc.subjectStereodynamicses_ES
dc.subjectComputational chemistryes_ES
dc.subjectReaction dynamicses_ES
dc.titleSignature of shape resonances on the differential cross sections of the S(1D)+H2 reactiones_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publishversionhttps://doi.org/10.1063/5.0042967es_ES
dc.identifier.doi10.1063/5.0042967
dc.relation.projectIDPGC2018-096444-B-I00es_ES
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses_ES
dc.identifier.essn1089-7690
dc.journal.titleThe Journal of Chemical Physicses_ES
dc.volume.number154es_ES
dc.issue.number12es_ES
dc.type.hasVersioninfo:eu-repo/semantics/submittedVersiones_ES


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