Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO

Erkoc, ŞAKİR; Erkoc, F

doi:10.1016/s0166-1280(01)00444-4

Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO

Atıf İçin Kopyala

Erkoc S., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.546, ss.175-181, 2001 (SCI-Expanded)

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.