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Calculation of the Jahn-Teller parameters with DFT / Izračunavanje Jan-Telerovih parametara primenom teorije funkcionala gustine
(Serbian Chemical Society, 2019)
In this review, we present Density Functional Theory (DFT) procedure to calculate the Jahn-Teller (JT) parameters in a non-empirical way, which does not depend on the system at hand. Moreover, the Intrinsic Distortion Path ...
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 ...
Organic-geochemical characteristics of the mud from the Techirghiol Lake, Romania
(Parlar Scientific Publications, 2021)
The Techirghiol Lake, located on the Romanian coast of the Black Sea, is a hypersaline lake. In this environment, a unique ecosystem in Europe has developed with the specific capacity of producing mud by the decomposition ...
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 ...
Can a benthic diatom community complement chemical analyses and discriminate between disturbed and undisturbed saline wetland habitats?
(Springer, 2021)
Soda pans are protected in the EuropeanUnion as Natura 2000 areas in the category of‘‘Pannonic saline steppes and marshes’’. There are atleast six soda pans of reference status in Serbia andonly a half have strict legal ...
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 ...
Breaking news: Empirical formulas, molar masses, biosynthesis reactions, and thermodynamic properties of virus particles, biosynthesis and binding of Omicron JN.1 variant of SARS-CoV-2 / Ударне вести: емпиријске формуле, моларне масе, реакције биосинтезе и термодинамичке особине вирусних честица, биосинтезе и везивања Omicron JN.1 варијанте SARS-CoV-2
(Serbian Chemical Society, 2024)
Breaking news are usually disturbing. Natural disasters, wars, epidemics etc. are reported as breaking news. This paper reports a decreased danger of spreading of epidemics caused by the JN.1 variant, since analyses indicate ...
Effect of storage process on nutritive properties of preterm human milk
(Association of the Chemical Engineers of Serbia, 2023)
Freeze storage and pasteurization of human milk are common treatments in milk banks. Thermal treatment changes the quality of milk for preterm infants’ nutrition, and the aim of this paper was to examine the nutritional ...
Read this first! How to prepare a manuscript for submission to a chemical science journal / Прво прочитајте ово! Како припремити рукопис за подношење у хемијски научни часопис
(Belgrade : Serbian Chemical Society, 2023)
In addition to the subject-matter theoretical knowledge acquired during undergraduate and especially postgraduate studies future young scientists must also acquire the accompanying academic skills. This skillset will enable ...