Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/10407
DC Field | Value | Language |
---|---|---|
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.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
item.languageiso639-1 | en | - |
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 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
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Single-Valued Double Many-Body Expansion Potential Energy.pdf | 121.09 kB | Adobe PDF | View/Open |
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