Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/5086
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Canotilho, João | - |
dc.contributor.author | Castro, R. A. Esteves de | - |
dc.contributor.author | Helena, M. | - |
dc.contributor.author | Teixeira, S. F. | - |
dc.contributor.author | Leitão, M. Luísa P. | - |
dc.contributor.author | Redinha, J. Simões | - |
dc.date.accessioned | 2008-09-01T15:03:42Z | - |
dc.date.available | 2008-09-01T15:03:42Z | - |
dc.date.issued | 2006 | en_US |
dc.identifier.citation | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 64:2 (2006) 279-286 | en_US |
dc.identifier.uri | https://hdl.handle.net/10316/5086 | - |
dc.description.abstract | Betaxolol and its respective hydrochloride salt were studied in solution by computational calculations and infrared spectroscopy. The solution molecular conformations were taken to be the same as those exhibited by the compounds in the solid state given by X-ray diffraction and calculated after full geometry optimization by ab initio Hartree-Fock methods using the 6-31G(d) basis set. Infrared spectra of carbon tetrachloride solutions provide valuable information on the structure of the compounds in non-polar solvents at different concentrations. | en_US |
dc.description.uri | http://www.sciencedirect.com/science/article/B6VNG-4GV9SRM-N/1/9a86cd7d502c202077a6a9d349c20269 | en_US |
dc.format.mimetype | aplication/PDF | en |
dc.language.iso | eng | eng |
dc.rights | openAccess | eng |
dc.subject | Ab initio calculations | en_US |
dc.subject | IR spectroscopy | en_US |
dc.subject | H-bonds | en_US |
dc.subject | Betaxolol | en_US |
dc.title | Infrared study of the acidic and basic forms of betaxolol | en_US |
dc.type | article | en_US |
dc.identifier.doi | 10.1016/j.saa.2005.07.021 | - |
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 | 0000-0001-6045-2330 | - |
crisitem.author.orcid | 0000-0002-1263-9034 | - |
Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
filec9a15796f8d546c0bc847a2eab546fe8.pdf | 262.1 kB | Adobe PDF | View/Open |
SCOPUSTM
Citations
12
checked on Apr 1, 2024
WEB OF SCIENCETM
Citations
12
checked on Apr 2, 2024
Page view(s)
351
checked on Apr 16, 2024
Download(s) 50
382
checked on Apr 16, 2024
Google ScholarTM
Check
Altmetric
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.