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Ureases: Quantum Chemical Calculations on Cluster Models

✍ Scribed by Suárez, Dimas; Díaz, Natalia; Merz, Kenneth M.

Book ID
126110505
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
508 KB
Volume
125
Category
Article
ISSN
0002-7863

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Quantum chemical calculations on thiorid
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✍ Joyce J. Kaufman; Ellen Kerman 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 359 KB

## Abstract Quantum chemical CNDO/2 calculations for the conformational preference of the side chain of thioridazine as a function of angle indicated the crystallographically determined structure gave the lowest energy. There is also a small region of conformational flexibility within the first 90°