Quantum calculation of transition probabilities, cross sections and thermal rate constant for the H++LiH(vj) inelastic scattering

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dc.contributor.authorAkpinar, Sinan
dc.contributor.authorGogtas, Fahrettin
dc.date.accessioned2026-08-12T16:34:45Z
dc.date.issued2006
dc.departmentFırat Üniversitesi
dc.description.abstractTime-dependent wave packet calculations were carried out to study the H+ + LiH inelastic scattering. The state-to-state and state-to-all transition probabilities for total angular momentum J=0 have been calculated. The probabilities for J > 0 are estimated from the J=0 results by using J-shifting approximation based on a capture model. Then, the integral cross sections and thermal rate constants are calculated. (c) 2006 Elsevier B.V. All rights reserved.
dc.identifier.doi10.1016/j.theochem.2006.03.019
dc.identifier.endpage120
dc.identifier.issn0166-1280
dc.identifier.issue1.Mar
dc.identifier.orcid0000-0003-2230-7575
dc.identifier.scopus2-s2.0-33744976802
dc.identifier.scopusqualityN/A
dc.identifier.startpage115
dc.identifier.urihttps://doi.org/10.1016/j.theochem.2006.03.019
dc.identifier.urihttps://hdl.handle.net/11508/44597
dc.identifier.volume765
dc.identifier.wosWOS:000239268900015
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure-Theochem
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260511
dc.subjectinelastic scattering
dc.subjectreaction dynamics
dc.subjectwavepacket study
dc.titleQuantum calculation of transition probabilities, cross sections and thermal rate constant for the H++LiH(vj) inelastic scattering
dc.typeArticle

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