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- W2009736569 abstract "The temperature variation of the Mossbauer quadrupole splitting of ${mathrm{Fe}}^{2+}$ ions in deoxygenated myoglobin, deoxygenated hemoglobin, and its structurally similar synthetic analogues have been theoretically analyzed, with the effect of orbit-lattice interaction taken into account. The present study considers ${mathrm{Fe}}^{2+}$ in the high-spin (S=2) configuration only and then uses the vibronic coupling as a perturbation that effectively produces mixings between the otherwise static crystal-field orbital states. This results in a better agreement between theoretical and experimental data. It shows that the effect of orbit-lattice interaction should be duly included in the interpretation of Mossbauer observables as a function of the temperature in biological complexes." @default.
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- W2009736569 title "Vibronic-coupling effect on the paramagneticFe2+ions in an insulator: Mössbauer quadrupole splitting in a biological system" @default.
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- W2009736569 doi "https://doi.org/10.1103/physrevb.46.632" @default.
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