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Structural and electronic properties of HEME and HEME-X; X = O-2, CO, NO
Date
2001-07-16
Author
Erkoç, Şakir
Erkoc, F
Metadata
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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.
Subject Keywords
Physical and Theoretical Chemistry
,
Biochemistry
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/57488
Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
DOI
https://doi.org/10.1016/s0166-1280(01)00444-4
Collections
Department of Physics, Article
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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.