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http://hdl.handle.net/10316/5749| Title: | Conformational study of ketoprofen by combined DFT calculations and Raman spectroscopy | Authors: | Vueba, M. L. Pina, M. E. Veiga, F. Sousa, J. J. Carvalho, L. A. E. Batista de |
Keywords: | Ketoprofen; DFT calculations; Raman spectroscopy; FTIR spectroscopy; Conformational analysis; Rotational isomerism | Issue Date: | 2006 | Citation: | International Journal of Pharmaceutics. 307:1 (2006) 56-65 | Abstract: | A conformational study of ketoprofen was carried out by both density functional theory (DFT) calculations and Raman spectroscopy. Nine different geometries were found to correspond to energy minimum conformations but only one of them was experimentally detected in the condensed phase spectra. | URI: | http://hdl.handle.net/10316/5749 | DOI: | 10.1016/j.ijpharm.2005.09.019 | Rights: | openAccess |
| Appears in Collections: | FFUC- Artigos em Revistas Internacionais |
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| file6c96073cb1a94363b828d12b28114a8b.pdf | 394.75 kB | Adobe PDF | View/Open |
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