Conformational study of ketoprofen by combined DFT calculations and Raman spectroscopy.

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Summary

A conformational study of ketoprofen was carried out by both density functional theory (DFT) calculations and Raman spectroscopy, finding nine different geometries found to correspond to energy minimum conformations but only one of them was experimentally detected in the condensed phase spectra.

Type
article
Published
2006-01-03
Cited by
89
References
58
Access
Open access

Keywords

Economics

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