Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5052
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Nunes, Sandra C. C. | - |
dc.contributor.author | Jesus, A. J. Lopes | - |
dc.contributor.author | Rosado, Mário Túlio S. | - |
dc.contributor.author | Eusébio, M. Ermelinda S. | - |
dc.date.accessioned | 2008-09-01T15:03:07Z | - |
dc.date.available | 2008-09-01T15:03:07Z | - |
dc.date.issued | 2007 | en_US |
dc.identifier.citation | Journal of Molecular Structure: THEOCHEM. 806:1-3 (2007) 231-238 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5052 | - |
dc.description.abstract | In the present work a conformational analysis of pindolol, a beta-blocker, is performed using several computational methods, including HF, DFT (B3LYP) and MP2. The relative electronic energies as well as the relevant dihedral angles of the significant conformer geometries are reported. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6TGT-4MH298S-1/1/026f88aa2cf86bb29b69a8f7cf4ac876 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.subject | Pindolol | en_US |
dc.subject | Beta-blocker | en_US |
dc.subject | Conformational analysis | en_US |
dc.subject | Hydrogen bonding | en_US |
dc.title | Conformational study of isolated pindolol by HF, DFT and MP2 calculations | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/j.theochem.2006.11.029 | - |
uc.controloAutoridade | Sim | - |
item.openairetype | article | - |
item.languageiso639-1 | en | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
item.fulltext | Com Texto completo | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
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.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0002-3060-5719 | - |
crisitem.author.orcid | 0000-0002-5953-976X | - |
crisitem.author.orcid | 0000-0001-5782-8819 | - |
crisitem.author.orcid | 0000-0002-5515-7721 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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fileafd08a67b10b45cc9c023ddc6b6b85f6.pdf | 333.93 kB | Adobe PDF | View/Open |
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