Structural and electronic properties of perchlorocoronene

Erkoc, ŞAKİR; Erkoc, F; Turker, L

doi:10.1016/s0166-1280(00)00590-x

Structural and electronic properties of perchlorocoronene

Atıf İçin Kopyala

Erkoc S., Erkoc F., Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.535, ss.159-164, 2001 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 535
Basım Tarihi: 2001
Doi Numarası: 10.1016/s0166-1280(00)00590-x
Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.159-164
Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

The structural and electronic properties of perchlorocoronene (C24Cl12) have been investigated theoretically by using semiempirical molecular orbital theory at the level of AM1 calculations. The optimized structure and the electronic structure of the molecule are obtained. (C) 2001 Elsevier Science B.V. All rights reserved.