PPP calculations of the absorption spectra of purines and pyrimidines
✍ Scribed by Margaret L. Bailey
- Publisher
- Springer
- Year
- 1970
- Tongue
- English
- Weight
- 400 KB
- Volume
- 16
- Category
- Article
- ISSN
- 1432-2234
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## Abstract Free energy perturbation calculations were conducted on the mutations of pyrimidine‐to‐pyrimidine, purine‐to‐purine, purine‐to‐pyrimidine, and pyrimidine‐to‐purine nucleosides. The parameters and technique required for these perturbations is presented. Each of the four nucleosides in DN
This method does not require the prior knowledge of the experimental absorption spee tra or transition moments of the bases forming the dinucleoside phosphates. Calculated spectra were obtained in good agreement with experimental spectra for four dinucleoside phosphates, ApA, UpU, GpA, and UpA, and
Trimethylsilyl and tert-butyldimethylsilyl derivatives of naturally occurring purines and pyrimidines and also other closely related model compounds were prepared and their 29Si NMR spectra measured. Only the chemical shifts of the SiÈNHÈ moiety could be assigned experimentally (i.e. exactly) ; the