Coriolis coupling effects in quantum dynamics calculations of the reactions H + NT (a1?) and isotopic effect

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dc.contributor.authorHekim, Seda
dc.date.accessioned2026-08-12T17:36:03Z
dc.date.issued2021
dc.departmentFırat Üniversitesi
dc.description.abstractThe time-dependent wave packet method was used to investigate the dynamics of the H + NT (a(1)Delta) reaction and its isotopic variants based on the modified NH2 ((A) over tilde (2) A(1)) potential energy surface. The reaction probabilities, cross section, and rate constants were obtained for depletion and exchange channel of H + NT reaction using the Coriolis coupling (CC) method. The comparison of CC and centrifugal sudden (CS) results shows that the CC effect plays a significant role in the title reaction. The isotopic effect has been pointed out by comparing it with previous NH + H and ND + H results.
dc.identifier.doi10.1140/epjp/s12260-021-01530-9
dc.identifier.issn2190-5444
dc.identifier.issue5
dc.identifier.scopus2-s2.0-85106309385
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1140/epjp/s12260-021-01530-9
dc.identifier.urihttps://hdl.handle.net/11508/57775
dc.identifier.volume136
dc.identifier.wosWOS:000658314700001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer Heidelberg
dc.relation.ispartofEuropean Physical Journal Plus
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20260511
dc.subjectPotential-Energy Surface
dc.subjectReal Wave-Packets
dc.subjectN(D-2)+H-2 Reaction
dc.subjectCross-Sections
dc.subjectFlux Analysis
dc.subjectGround-State
dc.subjectH-2
dc.subjectProbabilities
dc.subjectScattering
dc.subjectAtoms
dc.titleCoriolis coupling effects in quantum dynamics calculations of the reactions H + NT (a1?) and isotopic effect
dc.typeArticle

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