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- W2008376526 abstract "The results of iterative extended Huckel calculations of the electronic structure of the penta-coordinated Fe(II)-porphyn-imidazole complexes as models for deoxymyoglobin and alpha- and beta-subunits of tetrameric deoxyhemoglobin are presented. Temperature dependences of the Fe-57 nuclei quadrupole splitting and isomer shift for deoxymyoglobin and alpha- and beta-subunits of tetrameric deoxyhemoglobin models were calculated taking into account the spin-orbit coupling between ground and low-lying Fe(II) high spin terms. The results show that the electronic structure and Mössbauer parameters are sensitive to the stereochemical differences of the active sites in deoxymyoglobin and alpha- and beta-subunits of tetrameric deoxyhemoglobin." @default.
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- W2008376526 date "1988-09-01" @default.
- W2008376526 modified "2023-09-25" @default.
- W2008376526 title "Comparative quantum-chemical analysis of the electronic structure and mössbauer parameters of the active site models for deoxymyoglobin and α- and β-subunits of tetrameric deoxyhemoglobin" @default.
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- W2008376526 doi "https://doi.org/10.1016/s0006-291x(88)81275-0" @default.
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