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CNDO calculations on the conformational structure of acetylcholine

✍ Scribed by Anil Saran; Girjesh Govil


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
244 KB
Volume
37
Category
Article
ISSN
0022-5193

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CNDO/2 quantum-mechanical calculations o
✍ Jerzy Ciarkowski πŸ“‚ Article πŸ“… 1984 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 549 KB

Eight conformers typical of diketopiperazine (DKP) ring folding were chosen for analysis. Conf~ormational energy calculations were carried out using the semiempirical quantummechanical CNDOI:! method. The results obtained confirm considerable flexibility of'the IIKP skeleton. As the degree of' fold