BH-DFTB/DFT calculations for iron clusters
نویسندگان
چکیده
منابع مشابه
Iron-sulfur proteins: spin-coupling model for three-iron clusters.
Recent Mössbauer and EPR studies of two ferredoxins and of aconitase have given evidence for a three-iron cluster, probably of a [3Fe-3S] type. The studies of the oxidized EPR-active centers have shown that the three iron sites are characterized by significantly different magnetic hyperfine coupling constants. For the ferredoxin from Azotobacter vinelandii, for instance, we have observed A1 = -...
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ژورنال
عنوان ژورنال: AIP Advances
سال: 2016
ISSN: 2158-3226
DOI: 10.1063/1.4948752