AM1 treatment of azacyclophanes

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Atıf İçin Kopyala

Turker L.

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

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 585
• Basım Tarihi: 2002
• Doi Numarası: 10.1016/s0166-1280(02)00051-9
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.193-197
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

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.