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Theoretical electronic spectra for models having ferredoxin-core

Türker, Burhan Lemi
Ferredoxin-core model [Fe4S4] type iron-sulfur cluster having four cysteine moieties in the amide form, has been considered theoretically for electronic excitation spectrum. The neutral as well as the -/+ 2 charged forms of the model have been investigated within the restrictions of ZINDO/S (RHF) approach involving configuration interaction considerations. The charged forms, especially the negative one exhibited some bathochromic shift and hyperchromic effect.