E.H.M.O. calculations on the actual conformations of thymine photodimers
β Scribed by Norman Camerman; S. C. Nyburg
- Publisher
- Springer
- Year
- 1969
- Tongue
- English
- Weight
- 159 KB
- Volume
- 13
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
31 G\*) were carried out on the tetrahedral intermediate RC(CN)(OCH 3 )-NOCH 3 Γ , where R = C 6 H 5 , CH 2 =CH or H, generated by nucleophilic attack of methoxide ion on (Z)-or (E)-O-methylhydroximoyl cyanide [RC(CN)=NOCH 3 ]. These calculations indicate that the staggered conformation 4C, which w
The IR spectra of uracil and thymine predicted theoretically at the ab initio Hartree-Fock level with 6-31G\*\* basis set are reported and compared with Ar matrix experimental spectra. The IR spectra computed at the SCF/6-31G\*\* level reproduce the experimental spectra with an accuracy which allows