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Structure and dynamics of molecules of pharmaceutical interest in gas phase and in aqueous phase

โœ Scribed by Poully, Jean-Christophe; Nieuwjaer, Nicolas; Pierre Schermann, Jean

Book ID
111676588
Publisher
Royal Swedish Academy of Sciences
Year
2008
Tongue
English
Weight
232 KB
Volume
78
Category
Article
ISSN
0031-8949

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## Abstract Density functional calculations at the B3LYP/6โ€311++G\*\* level have been performed to determine the groundโ€state conformational preference for kojic acid, a widely used skinโ€whitening, antibrowning, and antibacterial agent. It is found that the gas phase consists almost entirely of the