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

2001-07-16
Erkoç, Şakir
Erkoc, F
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.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

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Citation Formats
Ş. Erkoç and F. Erkoc, “Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 175–181, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/57488.