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| dc.contributor.author | Heid, Cornelia G. | |
| dc.contributor.author | Bentham, Imogen P. | |
| dc.contributor.author | Gheorghe, Razvan | |
| dc.contributor.author | García Jambrina, Pablo | |
| dc.contributor.author | Aoíz Moleres, Francisco Javier | |
| dc.contributor.author | Brouard, Mark | |
| dc.date.accessioned | 2025-07-15T08:34:19Z | |
| dc.date.available | 2025-07-15T08:34:19Z | |
| dc.date.issued | 2021 | |
| dc.identifier.citation | Heid, 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/10.1080/00268976.2021.1946607 | es_ES |
| dc.identifier.issn | 0026-8976 | |
| dc.identifier.uri | http://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.mimetype | application/pdf | |
| dc.language.iso | eng | es_ES |
| dc.publisher | Taylor and Francis Group | es_ES |
| dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
| dc.subject | Stereodynamics | es_ES |
| dc.subject | Computational chemistry | es_ES |
| dc.subject | Reaction dynamics | es_ES |
| dc.title | Inelastic collision dynamics of oriented NO molecules with Kr atoms | es_ES |
| dc.type | info:eu-repo/semantics/article | es_ES |
| dc.relation.publishversion | https://doi.org/10.1080/00268976.2021.1946607 | es_ES |
| dc.identifier.doi | 10.1080/00268976.2021.1946607 | |
| dc.rights.accessRights | info:eu-repo/semantics/openAccess | es_ES |
| dc.identifier.essn | 1362-3028 | |
| dc.journal.title | Molecular Physics | es_ES |
| dc.volume.number | 120 | es_ES |
| dc.issue.number | 1-2 | es_ES |
| dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es_ES |
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