Please use this identifier to cite or link to this item: https://hdl.handle.net/10316/10407
DC FieldValueLanguage
dc.contributor.authorRodrigues, S. P. J.-
dc.contributor.authorSabín, J. A.-
dc.contributor.authorVarandas, A. J. C.-
dc.date.accessioned2009-06-29T10:01:48Z-
dc.date.available2009-06-29T10:01:48Z-
dc.date.issued2002-01-24-
dc.identifier.citationThe Journal of Physical Chemistry A. 106:3 (2002) 556-562en_US
dc.identifier.issn1089-5639-
dc.identifier.urihttps://hdl.handle.net/10316/10407-
dc.description.abstractAn accurate single-valued double many-body expansion potential energy surface has been obtained for the ground electronic state of the sulfur dioxide molecule (SO2) by fitting novel ab initio energies suitably corrected by scaling its correlation energy. The stationary points of the new surface have been exhaustively analyzed, and the quality of the fit was appreciated from the stratified root-mean-square deviations between the points and the analytical potential.en_US
dc.language.isoengen_US
dc.publisherAmerican Chemical Societyen_US
dc.rightsopenAccesseng
dc.titleSingle-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2en_US
dc.typearticleen_US
dc.identifier.doi10.1021/jp013482p-
uc.controloAutoridadeSim-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.openairetypearticle-
item.cerifentitytypePublications-
item.grantfulltextopen-
item.fulltextCom Texto completo-
item.languageiso639-1en-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.researchunitCQC - Coimbra Chemistry Centre-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.parentresearchunitFaculty of Sciences and Technology-
crisitem.author.orcid0000-0002-4640-7039-
crisitem.author.orcid0000-0003-1501-3317-
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais
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