𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical study of the electronic (hyper)polarizabilities of amino acids in gaseous and aqueous phases

✍ Scribed by Andrea Alparone

Book ID
116379971
Publisher
Elsevier
Year
2011
Tongue
English
Weight
273 KB
Volume
976
Category
Article
ISSN
2210-271X

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the kojic acid stru
Theoretical study of the kojic acid structure in gas phase and aqueous solution
✍ Rita Kakkar; Chayannika Singh 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 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

Theoretical study of morphine and heroin
Theoretical study of morphine and heroin: Conformational study in gas phase and aqueous solution and electron distribution analysis
✍ David A. Rincón; M. Natália D. S. Cordeiro; Ricardo A. Mosquera 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 646 KB

## Abstract The conformational preferences of morphine and heroin were studied in gas phase and with inclusion of solvent effects. At 298.15 K, three conformers are significant for isolated morphine, all of them displaying antiperiplanar arrangement for the C2C3OH unit, and there is only one sig