Utilize este identificador para referenciar este registo:
https://hdl.handle.net/10316/10407| Campo DC | Valor | Idioma |
|---|---|---|
| dc.contributor.author | Rodrigues, S. P. J. | - |
| dc.contributor.author | Sabín, J. A. | - |
| dc.contributor.author | Varandas, A. J. C. | - |
| dc.date.accessioned | 2009-06-29T10:01:48Z | - |
| dc.date.available | 2009-06-29T10:01:48Z | - |
| dc.date.issued | 2002-01-24 | - |
| dc.identifier.citation | The Journal of Physical Chemistry A. 106:3 (2002) 556-562 | en_US |
| dc.identifier.issn | 1089-5639 | - |
| dc.identifier.uri | https://hdl.handle.net/10316/10407 | - |
| dc.description.abstract | An 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.iso | eng | en_US |
| dc.publisher | American Chemical Society | en_US |
| dc.rights | openAccess | eng |
| dc.title | Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2 | en_US |
| dc.type | article | en_US |
| dc.identifier.doi | 10.1021/jp013482p | - |
| uc.controloAutoridade | Sim | - |
| item.fulltext | Com Texto completo | - |
| item.grantfulltext | open | - |
| item.languageiso639-1 | en | - |
| item.cerifentitytype | Publications | - |
| item.openairetype | article | - |
| item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
| crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
| crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
| crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
| crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
| crisitem.author.orcid | 0000-0002-4640-7039 | - |
| crisitem.author.orcid | 0000-0003-1501-3317 | - |
| Aparece nas coleções: | FCTUC Química - Artigos em Revistas Internacionais | |
Ficheiros deste registo:
| Ficheiro | Descrição | Tamanho | Formato | |
|---|---|---|---|---|
| Single-Valued Double Many-Body Expansion Potential Energy.pdf | 121.09 kB | Adobe PDF | Ver/Abrir |
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