Abstract
Metal ions containing unpaired electrons (i.e. paramagnetic) are rather common in biological systems. In particular, electron transfer metalloproteins must have at least one redox state with unpaired electrons. The quantum-mechanical treatment of these systems is cumbersome and the results are uncertain [1,2], although the density functional approach has provided some interesting data [3].
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Bertini, I., Rosato, A. (1997). Solution Structures Of Proteins Containing Paramagnetic Metal Ions. In: Banci, L., Comba, P. (eds) Molecular Modeling and Dynamics of Bioinorganic Systems. NATO ASI Series, vol 41. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-5171-9_1
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