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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.
Rights: openAccess
Appears in Collections:FFUC- Artigos em Revistas Internacionais

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