Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.546, ss.175-181, 2001 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 546
- Basım Tarihi: 2001
- Doi Numarası: 10.1016/s0166-1280(01)00444-4
- Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.175-181
- Orta Doğu Teknik Üniversitesi Adresli: Hayır
Özet
The structural and electronic properties of HEME and HEME-X (X = O-2, CO, NO) have been investigated theoretically by performing semi-empirical molecular orbital theory at the level of PM3 calculations. The optimized structure and the electronic properties of the molecules are obtained. (C) 2001 Elsevier Science B.V. All rights reserved.