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Excited State Properties of 7-Hydroxy-4-methylcoumarin in the Gas Phase and in Solution. A Theoretical Study

✍ Scribed by Georgieva, I.; Trendafilova, N.; Aquino, A.; Lischka, H.

Book ID: 120552188
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 463 KB
Volume: 109
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp0524025

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