Molecular orbital calculations on the preferred conformation of nucleosides

Frank Jordan, Bernard Pullman

Research output: Contribution to journalArticlepeer-review

57 Scopus citations


The extended Hückel theory has been applied to the study of the conformation of the nucleosides of the purine and pyrimidine bases of the nucleic acids. Although the evaluation of the total energy as a function of the rotation angle presents in all cases two minima, the calculations predict a preferred anti conformation for uridine, cytidine and adenosine and a preferred syn conformation for guanosine. These predictions appear to be in agreement with the available experimental data.

Original languageEnglish (US)
Pages (from-to)242-252
Number of pages11
JournalTheoretica Chimica Acta
Issue number3
StatePublished - Jan 1968
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chiropractics


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