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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 ...
What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?
(Springer Nature, 2020)
To shed new light on the electronic structure of [Fe(CO)3(NO)]¯ complex ion, DFT-based analysis of the nature of chemical bonding has been performed. For this purpose, the extended transition state energy decomposition ...
Effects of different polymers and solvents on crystallization of the NaYF4:Yb/Er phase
(Springer, 2020)
Up-converting NaYF4:Yb,Er nanoparticles were obtained by polymer-assisted solvothermal synthesis using a common solution of hydrated RE nitrates in ethanol or ethylene glycol. It was shown that polymer choice (polyacrylic ...
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 ...
Ideal efficiency of resonant cavity-enhanced perovskite solar cells
(Springer Science and Business Media LLC, 2020)
Perovskite solar cells (PSCs) have attracted significant attention in recent years due to the rapid increase in device efficiency (reaching over 25% in 2019), ease of fabrication, and the potential to produce low-cost ...