Research Article
A Computational Investigation of the Binding of the Selenium Analogues of Ergothioneine and Ovothiol to Cu(I) and Cu(II) and the Effect of Binding on the Redox Potential of the Cu(II)/Cu(I) Redox Couple
Table 1
The relative energies and populations of the Cu(II)(OSe)2 complexes investigated.
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aThe relative population of conformer j calculated using Boltzmann statistics. See supporting information for more details. |