Accurate redox potentials of mononuclear
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Artur Galstyan; Ernst-Walter Knapp
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Article
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2009
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John Wiley and Sons
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English
β 133 KB
π 1 views
## Abstract Density functional theory (DFT) was combined with solution of the Poisson equation for continuum dielectric media to compute accurate redox potentials for several mononuclear transition metal complexes (TMCs) involving iron, manganese, and nickel. Progress was achieved by altering the B