Department of Chemistry, Faculty of Science, Hiroshima University, Higashisenda-machi, Hiroshima 730, Japan;Department of Chemistry, Shiga University of Medical Science, Setatsukinowa-cho, Otsu, Shiga 520-21, Japan
Abstract:
Goniomers of single-stranded poly(dl-alanine) helices were treated by the semiempircal CNDO/2 MO procedure. The αR and forms were also calculated. From the calculated total energies and partitioned energies we discuss the conformational stablity of goniomers of poly(dl-alanines). The conformational stability of the α and π forms is also compared.