13C NMR Chemical Shifts of the Triclinic and Monoclinic Crystal forms of Valinomycin
β Scribed by Tsunenori Kameda; Gary McGeorge; Anita M. Orendt; David M. Grant
- Book ID
- 111591459
- Publisher
- Springer Netherlands
- Year
- 2004
- Tongue
- English
- Weight
- 167 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0925-2738
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## Abstract ^13^Cβnmr chemical shifts of backbone carbonyl and sideβchain Ξ²βcarbons in polypeptides provide structural information. Recent utilization of substituent effects on ^13^Cβnmr chemical shifts (principally Ξ³βeffects) has permitted the rationalization of their sequence and conformation dep
## Abstract An equation correlating ^13^C NMR chemical shifts and the global van der Waals energy of the carbon atoms (rms deviation Ξ΄ β€ 2.6 ppm) in aliphatic hydrocarbons, alcohols and chlorinated derivatives was derived. Molecular mechanics calculations have been used to determine the global van