AM1 and PM3 treatment of Huckel type cyclacenes


Turker L., Celebi N.

INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY, cilt.39, sa.6, ss.410-413, 2000 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 39 Konu: 6
  • Basım Tarihi: 2000
  • Dergi Adı: INDIAN JOURNAL OF CHEMISTRY SECTION B-ORGANIC CHEMISTRY INCLUDING MEDICINAL CHEMISTRY
  • Sayfa Sayıları: ss.410-413

Özet

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.