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• W4280578377 abstract "We present the very first density functional theory and dynamical mean field theory calculations of iron-bound human serum transferrin. Peaks in the optical conductivity at 250, 300, and 450 nm were observed, in line with experimental measurements. Spin multiplet analysis suggests that the ground state is a mixed state with high entropy, indicating the importance of strong electronic correlation in this system's chemistry." @default.
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• W4280578377 date "2022-05-12" @default.
• W4280578377 modified "2023-10-16" @default.
• W4280578377 title "Many-Body Study of Iron(III)-Bound Human Serum Transferrin" @default.
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• W4280578377 doi "https://doi.org/10.1021/acs.jpclett.2c00680" @default.
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