ABINITIO STUDY OF A PURINE NUCLEOSIDE - ADENOSINE

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 CH2OH group, anti orientation of the base with respect to the sugar and 3′‐endo conformation of the ribose, gg orientation of the extra‐cyclic CH2OH 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. Copyright © 1979 John Wiley & Sons, Inc.