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dc.contributor.authorHeid, Cornelia G.
dc.contributor.authorBentham, Imogen P.
dc.contributor.authorGheorghe, Razvan
dc.contributor.authorGarcía Jambrina, Pablo 
dc.contributor.authorAoíz Moleres, Francisco Javier
dc.contributor.authorBrouard, Mark
dc.date.accessioned2025-07-15T08:34:19Z
dc.date.available2025-07-15T08:34:19Z
dc.date.issued2021
dc.identifier.citationHeid, C. G., Bentham, I. P., Gheorghe, R., Jambrina, P. G., Aoiz, F. J., & Brouard, M. (2021). Inelastic collision dynamics of oriented NO molecules with Kr atoms. Molecular Physics, 120(1–2). https://doi.org/10.1080/00268976.2021.1946607es_ES
dc.identifier.issn0026-8976
dc.identifier.urihttp://hdl.handle.net/10366/166461
dc.description.abstract[EN]Building on our previous work on NO + Ar, this paper presents a complete set of orientation measurements and quantum mechanical calculations for the NO + Kr collision system, including both spin-orbit conserving and changing collisions, and both side-on (x-axis) and end-on (z-axis) orientations. While many of the trends observed in the oriented differential and integral scattering distributions, as well as in the spin-orbit branching fractions, are similar to the ones seen previously for NO + Ar, a direct comparison with the Ar data reveals subtle differences in the scattering dynamics, which we rationalise with the more extended attractive regions on the NO + Kr potential energy surfaces. High-impact parameter collisions that lead to low scattering angles in the spin-orbit conserving manifold are particularly sensitive to the topology in the attractive parts of the potential, whereas more impulsive, low-impact parameter trajectories, which sample the repulsive parts of the potential, produce very similar features in the oriented differential cross sections for the Ar and Kr systems, especially for spin-orbit changing collisions.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenges_ES
dc.publisherTaylor and Francis Groupes_ES
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectStereodynamicses_ES
dc.subjectComputational chemistryes_ES
dc.subjectReaction dynamicses_ES
dc.titleInelastic collision dynamics of oriented NO molecules with Kr atomses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publishversionhttps://doi.org/10.1080/00268976.2021.1946607es_ES
dc.identifier.doi10.1080/00268976.2021.1946607
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses_ES
dc.identifier.essn1362-3028
dc.journal.titleMolecular Physicses_ES
dc.volume.number120es_ES
dc.issue.number1-2es_ES
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones_ES


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Attribution-NonCommercial-NoDerivatives 4.0 Internacional
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