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- Title
Ab initio study of the <sup>57</sup>Fe quadrupole splitting in the heme models of α- and β-subunits in tetrameric deoxyhemoglobin.
- Authors
Yuryeva, E. I.; Oshtrakh, M. I.
- Abstract
Ab initio Xα discrete variation method was used for calculation of quadrupole splitting for the rough heme models in α- and β-subunits of tetrameric deoxyhemoglobin accounting small stereochemical variations. The differences of theoretical values of quadrupole splitting for these heme models were obtained.
- Publication
Hyperfine Interactions, 2005, Vol 164, Issue 1-4, p327
- ISSN
0304-3843
- Publication type
Article
- DOI
10.1007/s10751-006-9279-4