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Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/164276
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dc.contributor.authorSayós Ortega, Ramón-
dc.contributor.authorHernando, Jordi-
dc.contributor.authorPuyuelo, Maria P.-
dc.contributor.authorEnríquez, Pedro A.-
dc.contributor.authorGonzález Pérez, Miguel-
dc.date.accessioned2020-06-04T11:49:36Z-
dc.date.available2020-06-04T11:49:36Z-
dc.date.issued2002-01-07-
dc.identifier.issn1463-9076-
dc.identifier.urihttp://hdl.handle.net/2445/164276-
dc.description.abstractWe studied the effects of collision energy (ET) on the dynamics of the title reaction using the quasiclassical trajectory method on an analytical triatomic potential energy surface we had derived for this system. We compared the dependence of the scalar and two-vector properties of the reaction on ET with experimental data and obtained a quite good agreement. The results can be explained in terms of the coexistence of two microscopic reaction mechanisms: insertion and abstraction. The former mechanism is the most important one, although the contribution of the latter increases with ET.-
dc.format.extent7 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoeng-
dc.publisherRoyal Society of Chemistry-
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1039/b107719h-
dc.relation.ispartofPhysical Chemistry Chemical Physics, 2002, vol. 4, num. 2, p. 288-294-
dc.relation.urihttps://doi.org/10.1039/b107719h-
dc.rights(c) Sayós Ortega, Ramón et al., 2002-
dc.sourceArticles publicats en revistes (Ciència dels Materials i Química Física)-
dc.subject.classificationQuímica quàntica-
dc.subject.classificationDinàmica-
dc.subject.classificationDissociació (Química)-
dc.subject.otherQuantum chemistry-
dc.subject.otherDynamics-
dc.subject.otherDissociation-
dc.titleInfluence of collision energy on the dynamics of the reaction O(1D) + CH4(X1A 1) → OH(X2Π) + CH3(X2 A2'')-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/acceptedVersion-
dc.identifier.idgrec192742-
dc.date.updated2020-06-04T11:49:36Z-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
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