Zero-Field Splittings of Iron Complexes of Transferrins
نویسندگان
چکیده
منابع مشابه
First-principle computation of zero-field splittings: application to a high valent Fe(IV)-oxo model of nonheme iron proteins.
We report the computational implementation of a combined spin-density-functional theory and perturbation theory (SDFT-PT) methodology for the accurate calculation of zero-field splittings (ZFS) in complexes of the most diverse nature including metal centers in proteins. We have applied the SDFT-PT methodology to study the cation of the recently synthesized complex [Fe(IV)(O)-(TMC)(NCCH(3))](OTf...
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Correlation of Zero-Field Splittings and Site Distortions. IX. Fe and Cr in /J-Ga203
EPR of Fe + in distorted tetrahedral sites in single crystals of /?-Ga203 has been measured for the first time, and the second-order zero-field splitting (ZFS) parameters and principal axes directions were determined. The data for the sixfold coordinated Fe 3 + are in good agreement with results from the literature. Comparison of the ZFS patterns with those calculated from the crystal structure...
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ژورنال
عنوان ژورنال: Journal of Biological Chemistry
سال: 1972
ISSN: 0021-9258
DOI: 10.1016/s0021-9258(19)44597-3