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dc.contributor.authorGiri, K.
dc.contributor.authorLourderaj, U.
dc.contributor.authorRana, Subrata
dc.contributor.authorGonzález Sánchez, Lola 
dc.contributor.authorMartín Santa Daría, Alberto 
dc.contributor.authorYurtsever, E.
dc.contributor.authorSathyamurthy, N.
dc.contributor.authorWester, Roland
dc.contributor.authorGianturco, Franco A.
dc.date.accessioned2025-10-29T11:58:20Z
dc.date.available2025-10-29T11:58:20Z
dc.date.issued2025-10-28
dc.identifier.citationK. Giri , U. Lourderaj , S. Rana , L. González-Sánchez , AM Santa Daría , E. Yurtsever , N. Sathyamurthy , R. Wester , FA Gianturco; Dinámica cuántica de aniones C 7 N − y C 10 H − en colisión con H 2 en condiciones de medio interés. J. química. Física. 28 de octubre de 2025; 163 (16): 164314. https://doi.org/10.1063/5.0292750es_ES
dc.identifier.urihttp://hdl.handle.net/10366/167544
dc.description.abstract[EN]We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N− and C10H−, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenges_ES
dc.publisherAIP Publshinges_ES
dc.subjectAstrochemistryes_ES
dc.subjectMolecular dynamicses_ES
dc.subjectInterstellar mediumes_ES
dc.subjectInelastic scatteringes_ES
dc.titleQuantum dynamics of C7N− and C10H− anions in collision with H2 at interstellar medium conditionses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publishversionhttps://doi.org/10.1063/5.0292750es_ES
dc.identifier.doi10.1063/5.0292750
dc.relation.projectIDMCIN/AEI/10.13039/MCIN/AEI/10.13039/501100011033/PID2023-147215NB-I00es_ES
dc.rights.accessRightsinfo:eu-repo/semantics/embargoedAccesses_ES
dc.journal.titleThe Journal of Chemical Physicses_ES
dc.volume.number163es_ES
dc.page.initial164314es_ES
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones_ES


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