AM1 and PM3 treatment of Huckel type cyclacenes


Turker L., Celebi N.

INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, vol.39, no.6, pp.410-413, 2000 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 39 Issue: 6
  • Publication Date: 2000
  • Title of Journal : INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY
  • Page Numbers: pp.410-413

Abstract

Semi-empirical molecular orbital treatment at the level of AM1 and PM3 has been performed on the Huckel type cyclacenes. The effect of peripheral circuits on the stabilities and the interfrontier energy gaps of cyclacenes has been investigated.