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dc.contributor.authorGonzález Sánchez, Lola 
dc.contributor.authorYurtsever, E.
dc.contributor.authorWester, Roland
dc.contributor.authorGianturco, Franco A.
dc.date.accessioned2021-10-01T09:16:57Z
dc.date.available2021-10-01T09:16:57Z
dc.date.issued2021
dc.identifier.citationL. González-Sánchez, E. Yurtsever, R. Wester, and F. A. Gianturco The Journal of Physical Chemistry A 2021 125 (17), 3748-3759 DOI: 10.1021/acs.jpca.1c01820es_ES
dc.identifier.issn1089-5639
dc.identifier.urihttp://hdl.handle.net/10366/147193
dc.description.abstract[EN]Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation HeHHe+, at its equilibrium geometry, with the neutral He atom. The resulting interaction is employed to investigate the efficiency of rotational state-changing collisions at the temperatures relevant to the early universe conditions, where the latter molecule has been postulated to exist, albeit not yet observed. The inelastic rate coefficients are found to be fairly large and are compared with those found for another important cation just recently observed in the interstellar medium: the HeH+ polar molecule. The possibility for this cation to provide new options to energy dissipation routes under early universe conditions after the recombination era is briefly discussed.es_ES
dc.format.mimetypeapplication/pdf
dc.language.isoenges_ES
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internacional*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/*
dc.subjectCollisionses_ES
dc.subjectEnergyes_ES
dc.subjectKinetic parameterses_ES
dc.subjectCationses_ES
dc.subjectMoleculeses_ES
dc.titleDynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistryes_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.relation.publishversionhttps://doi.org/10.1021/acs.jpca.1c01820?rel=cite-as&ref=PDF&jav=VoRes_ES
dc.identifier.doi10.1021/acs.jpca.1c01820
dc.relation.projectIDAustrian Science Fund (FWF), Project No. 29558-N36es_ES
dc.relation.projectIDSpanish Ministry of Science and Innovation: PGC2018-096444-B-I00es_ES
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses_ES
dc.identifier.essn1520-5215
dc.journal.titleThe Journal of Physical Chemistry Aes_ES
dc.volume.number125es_ES
dc.issue.number17es_ES
dc.page.initial3748es_ES
dc.page.final3759es_ES
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones_ES


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