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dc.date.accessioned 2021-06-11T15:41:59Z
dc.date.available 2021-06-11T15:41:59Z
dc.date.issued 2007
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/120125
dc.description.abstract Force fields and vibrational frequencies were calculated for the molecules SOX2 and SeOX2, with X = F, Cl, Br, using DFT techniques. The previously available experimental data and assignments for the six molecules were confirmed by the theoretical results. These data were subsequently used in the definition of the corresponding scaled quantum mechanics (SQM) force fields. A comparison of the obtained internal force constants is made with results reported by other authors for the studied species. en
dc.format.extent 1491-1496 es
dc.language en es
dc.subject Thionyl Halides es
dc.subject Selenyl Halides es
dc.subject Force Constants es
dc.subject Structure es
dc.subject DFT Calculations es
dc.title A Quantum Chemistry Approach to the Force Fields of the Thionyl and Selenyl Halides, SOX2 and SeOX2 en
dc.type Articulo es
sedici.identifier.other https://doi.org/10.1515/znb-2007-1205 es
sedici.identifier.issn 1865-7117 es
sedici.creator.person Fernández, Lis E. es
sedici.creator.person Varetti, Eduardo Lelio es
sedici.description.note Publicado on line 2014. 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 für Naturforschung B es
sedici.relation.journalVolumeAndIssue vol. 62, no. 12 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)