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dc.date.accessioned 2019-10-30T12:37:06Z
dc.date.available 2019-10-30T12:37:06Z
dc.date.issued 2011-05-01
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/84339
dc.description.abstract The vibrational properties of the asymmetrical thionyl halides FS(O)Cl, CF3SS(O)F and CF3SS(O)Cl were studied by means of density functional theory (DFT) techniques. The available experimental data and assignments for these molecules were compared with the theoretical results and revised. These data were subsequently used in the definition of the corresponding scaled quantum mechanics (SQM) force fields. A set of internal force constants was also calculated from such force fields. en
dc.format.extent 499-504 es
dc.language en es
dc.subject DFT calculations es
dc.subject Force constants es
dc.subject Structure es
dc.subject Thionyl Halides es
dc.subject Estructura Molecular es
dc.title A quantum chemistry approach to the force fields of the asymmetrical thionyl halides FS(O)Cl, CF3S(O)F and CF3S(O)Cl en
dc.type Articulo es
sedici.identifier.other http://dx.doi.org/10.1515/znb-2011-0510 es
sedici.identifier.issn 0932-0776 es
sedici.creator.person Coronel, Angelina del Carmen es
sedici.creator.person Gargiulo, Myriam E. es
sedici.creator.person Varetti, Eduardo Lelio es
sedici.creator.person Fernández, Lis E. es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Centro de Química Inorgánica es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-nd/3.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences es
sedici.relation.journalVolumeAndIssue vol. 66, no. 5 es
sedici.rights.sherpa * Color: gray* Pre-print del autor: unknown* Post-print del autor: unknown* Versión de editor/PDF:unknown* Condiciones:>>Las políticas de este editor no han sido verificadas por Color.>>Contacte por favor con la editorial para mayor información si es necesaria* Link a Sherpa: http://sherpa.ac.uk/romeo/issn/0932-0776/es/


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Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported (CC BY-NC-ND 3.0)