An analysis of the conformation and electronic structure of newly synthesized cryptand

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Atıf İçin Kopyala

Abbasoglu R., GOK Y.

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, cilt.42, sa.5, ss.1013-1015, 2003 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 42 Sayı: 5
• Basım Tarihi: 2003
• Dergi Adı: INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.1013-1015
• Karadeniz Teknik Üniversitesi Adresli: Evet

Özet

Using molecular mechanical methods (MM2, AMBER, OPLS), a confor-mational analysis of a newly synthesized cryptand is made and its stable conformations are determined. The electronic structures of the stable conformations are analysed by the AMI method, and its donor-acceptor characteristics are investigated.