Structural and electronic properties of perchlorocoronene
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.535, ss.159-164, 2001 (SCI-Expanded, Scopus)
- 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.