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Assessment of density functional approximations for calculation of exchange coupling constants in thiocyanato and cyanato double bridged binuclear Ni(II) complexes / Испитивање апроксимативних функционала густине за израчунавање константи купловања у двоструко премошћеним тиоцијанато и цијанато бинуклеарним Ni(II) kомплексима
(Belgrade : Serbian Chemical Society, 2020)
In the present work, we examine the magnetic properties of 8 "end-to-end" thiocyanato, and 3 "end-to-end" cyanato double bridged Ni(II) binuclear complexes. Thiocyanato complexes are weakly ferromagnetic. Cyanato bridged ...
Amide–π interactions in active centres of superoxide dismutase / Amid-–π interakcije u aktivnom centru superoksid-dismutaza
(Belgrade : Serbian Chemical Society, 2021)
PaiIn this work, the influence of amide–π interactions on stability and properties of superoxide dismutase (SOD) active centres was analysed. In the data set of 43 proteins, 5017 amide–π interactions were observed, and ...
Synthesis, X-ray structure and DFT calculation of magnetic properties of binuclear Ni(II) complex with tridentate hydrazone-based ligand / Синтеза, кристална структура и прорачуни функционала густине магнетних својстава бинуклеарног комплекса Ni(II) са тридентатним хидразонским лигандом
(Belgrade : Serbian Chemical Society, 2020)
Binuclear double end-on azido bridged Ni(II) complex (1) with composition [Ni2L2(μ-1,1-N3)2(N3)2]×6H2O, (L = (E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethan-1-amin) was synthesized and characterized ...