## Abstract The __ab initio__ SCF LCAO‐MO method is used to compute the main electronic properties of a purine nucleoside, adenosine, in two specific conformational arrangements (3′‐endo conformation of the ribose, gt orientation of the extracyclic CH~2~OH group, __anti__ orientation of the base wi
An ab initio study of a nucleoside: Uridine
✍ Scribed by Alberte Pullman; Hélène Berthod
- Book ID
- 104579188
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 412 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
HCuCO is studied using a large Gaussian basis set at the coupled cluster singles and doubles level of theory, including a perturbational estimate of the connected triples (CCSD( T) ). In contrast with C&O, HCuCO is linear. The Cu-CO bond in HCuCO is significantly stronger than in CuCO. These differe
An ab initio study of the low-lying states of protonated Sis was carried out at the HF/6-31G\*\* level. Five states were studied: 'A, ( I), 'A, (2), 'C+, 'A' and 'B,. 'A,(2) and 'Z+ were found to he transition states at the Hanree-Foek level. 'A' and 'B2 are the two possible candidates for the groun