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Theoretical study of the hydrolysis of ethyl benzoate in acidic aqueous solution using the QM/MC/FEP method

✍ Scribed by Kaweetirawatt, Thanayuth; Kokita, Yohei; Iwai, Shiho; Sumimoto, Michinori; Hori, Kenji

Book ID
123268250
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
710 KB
Volume
547
Category
Article
ISSN
0009-2614

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Theoretical study of the kojic acid stru
Theoretical study of the kojic acid structure in gas phase and aqueous solution
✍ Rita Kakkar; Chayannika Singh πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 351 KB

## 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