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dc.date.accessioned 2019-11-06T14:06:50Z
dc.date.available 2019-11-06T14:06:50Z
dc.date.issued 2014
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/85039
dc.description.abstract The near ultraviolet-visible absorption spectrum of disulfur monoxide (S2O) has been theoretically studied by using the time-dependent density functional theory (TD-DFT) and the equation of motion coupled-cluster singles and doubles approach (EOM-CCSD) combined with the AUG-cc-PVQZ basis set. From this, analytical expressions for the absorption coefficient over the 250 - 340 nm range are reported for the first time. The computed molecular structure and the vibrational frequencies for the ground and third electronically excited state S2O (C1A′), responsible of the observed spectrum, are compared with available data. en
dc.format.extent 215-219 es
dc.language en es
dc.subject Absorption spectra es
dc.subject EOM-CCSD es
dc.subject TD-DFT es
dc.title Theoretical study of the electronic spectrum of disulfur monoxide en
dc.type Articulo es
sedici.identifier.other doi:10.5560/ZNA.2014-0009 es
sedici.identifier.other eid:2-s2.0-84901488205 es
sedici.identifier.issn 0932-0784 es
sedici.creator.person Cobos, Carlos Jorge es
sedici.creator.person Croce, Adela Ester es
sedici.subject.materias Ciencias Exactas es
sedici.description.fulltext true es
mods.originInfo.place Facultad de Ciencias Exactas es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-sa/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Zeitschrift für Naturforschung - Section A es
sedici.relation.journalVolumeAndIssue vol. 69, no. 5-6 es
sedici.rights.sherpa * Color: yellow * Pre-print del autor: si * Post-print del autor: restringido * Versión de editor/PDF:restringido * Condiciones: >>Pre-print and abstract on author's personal website only >>Author's post-print on funder's repository or funder's designated repository at the funding agency's request or as a result of legal obligation. >>Publisher's version/PDF may be used, on author's personal website, editor's personal website or institutional repository >>Authors no deposit in subject repositories >>Published source must be acknowledged >>Must link to publisher version and article's DOI must be given * Link a Sherpa: http://sherpa.ac.uk/romeo/issn/0932-0784/es/


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Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)