Ab initio study of a purine nucleoside: Adenosine

✍ Scribed by J. S. Kwiatkowski; B. Pullman

• Book ID: 104579538
• Publisher: John Wiley and Sons
• Year: 1979
• Tongue: English
• Weight: 502 KB
• Volume: 15
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560150506

✦ Synopsis

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 with respect to the sugar and 3′‐endo conformation of the ribose, gg orientation of the extra‐cyclic CH~2~OH group, syn orientation of the base with respect to the sugar). The results are compared with those performed for the isolated component fragments, adenine and 3′‐endo riboses.