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dc.contributor.author
Cobos, Carlos Jorge  
dc.contributor.author
Croce, Adela Ester  
dc.date.available
2016-04-12T19:41:41Z  
dc.date.issued
2014-04  
dc.identifier.citation
Cobos, Carlos Jorge; Croce, Adela Ester; Theoretical Study of the Electronic Spectrum of Disulfur Monoxide; Verlag Z Naturforsch; Zeitschrift Fur Naturforschung A: Journal Of Physical Sciences; 69; 5-6; 4-2014; 215-219  
dc.identifier.issn
0932-0784  
dc.identifier.uri
http://hdl.handle.net/11336/5172  
dc.description.abstract
The near ultraviolet-visible absorption spectrum of disulfur monoxide (S2O) has been theoreticallystudied 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 (C 1A′), responsible of the observed spectrum, are compared with available data  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
Verlag Z Naturforsch  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
S2o  
dc.subject
Absorption Spectra  
dc.subject
Td-Dft  
dc.subject
E0m-Ccsd  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Theoretical Study of the Electronic Spectrum of Disulfur Monoxide  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2016-05-06 15:52:43.262787-03  
dc.journal.volume
69  
dc.journal.number
5-6  
dc.journal.pagination
215-219  
dc.journal.pais
Alemania  
dc.journal.ciudad
Tübingen  
dc.description.fil
Fil: Cobos, Carlos Jorge. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina  
dc.description.fil
Fil: Croce, Adela Ester. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico la Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina. Universidad Nacional de La Plata; Argentina  
dc.journal.title
Zeitschrift Fur Naturforschung A: Journal Of Physical Sciences  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/10.5560/ZNA.2014-0009  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.znaturforsch.com/aa/v69a/69a0215.htm  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://www.degruyter.com/view/j/zna.2014.69.issue-5-6/zna.2014-0009/zna.2014-0009.xml  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.5560/ZNA.2014-0009  

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