Theoretical studies of the polar effect. 5. The use of the isolated molecule approach
โ Scribed by Marriott, Stephen; Topsom, Ronald D.
- Book ID
- 126110438
- Publisher
- American Chemical Society
- Year
- 1985
- Tongue
- English
- Weight
- 332 KB
- Volume
- 107
- Category
- Article
- ISSN
- 0002-7863
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The theoretical conformations of poly (Gly-Ala-Glu) have been studied. This peptide was chosen as a model for the glycine led triads of the polar regions in collagen. The most favorable conformations are found to be based on the extended and folded forms of the 27 helix ( 2 ~~ and 27b). It is sugges
## Abstract Calculations of the dependence of ^13^C chemical shifts on the dielectric constant, ฯต, of the medium are reported using the INDO/S parameterized version of Pople's method together with the solvaton model. Satisfactory agreement with the available experimental data is obtained. The rathe