3.8. DFT Calculations

RB Renata Barczyńska-Felusiak
MP Małgorzata Pastusiak
PR Piotr Rychter
BK Bożena Kaczmarczyk
MS Michał Sobota
AW Andrzej Wanic
AK Anna Kaps
MJ Marzena Jaworska-Kik
AO Arkadiusz Orchel
PD Piotr Dobrzyński
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All geometric structures of the zinc complexes were fully optimized at the B3LYP/6-311G* density functional (DFT) level [48] by using the Gaussian 03 Rev. E.01-SMP program [49]. The obtained geometry was visualized with the GaussView 4.1 program [50].

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