AM1 treatment of azacyclophanes


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.585, ss.193-197, 2002 (SCI İndekslerine Giren Dergi)

  • Cilt numarası: 585
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(02)00051-9
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayısı: ss.193-197

Özet

AM1 type semiempirical quantum chemical calculations on various mono and diazacyclophanes having 23 and 4 phane-bridges were carried out. The results were related to the Hamiltonicity or non-Hamiltonocity of the corresponding molecular graphs. (C) 2002 Elsevier Science B.V. All rights reserved.