Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine‐quinoline complexes: Comparison of semi‐empirical tight‐binding and DFT methods and the challenge of describing the entatic state (part III)
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DOI: 10.1002/jcc.26927
Abstract: Copper guanidine‐quinoline complexes are an important class of bioinorganic complexes that find utilization in electron and atom transfer processes. By substitution of functional groups on the quinoline moiety the electron transfer abilities of these complexes… read more here.
Keywords: empirical tight; semi empirical; quinoline complexes; tight binding ... See more keywords