AM1 treatment of azacyclophanes


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.585, pp.193-197, 2002 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 585
  • Publication Date: 2002
  • Doi Number: 10.1016/s0166-1280(02)00051-9
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.193-197

Abstract

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.