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Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds
(Royal Society of Chemistry (RSC), 2020)
To improve the description of interactions among the localized d, f electrons in transition metals, we have introduced a ligand-field motivated contribution into the Density Functional Tight Binding (DFTB) model. Referred ...
Influence of inhibitors on the corrosion behavior of the X5CrNi18 10 stainless steel ‐ welded joint
(Wiley‐VCH GmbH, 2020)
This study considers the corrosion behavior of the X5CrNi18 10 stainless steel‐welded joint in NaCl solution, with and without the presence of several corrosion inhibitors (NaNO3 , Ce(NO3)3, and CeCl3). The degree of ...
Microstructure and thermal properties of Bi-Sn eutectic alloy
(München : Carl Hanser Verlag, 2020)
Alloys based on Sn and Bi are considered to be one of the best soft lead-free solders due to their low melting temperature and low price. In addition, Bi-Sn alloy with a eutectic composition represents a promising candidate ...
The Effect of Nanofibrillated Tempo-oxidized Cotton Linters on the Strength and Optical Properties of Paper
(USA :Taylor & Francis INC, 2020)
This study elaborates the application of composite films based on nanofibrillated cellulose obtained from cotton linters oxidized in the 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TEMPO)/NaBr/NaClO system, with the use ...
Effect of cerium oxide doping on the photocatalytic properties of rutile TiO2 films prepared by spray pyrolysis
(Elsevier, 2020)
The spray pyrolysis is fast and simple method for deposition of CeO2 – rutile TiO2 coatings on stainless steel substrate. The coatings were deposited on stainless steel substrate and characterized by XRD, AFM, XPS, Raman, ...
Insight into the Origin of Pyrocatechol Inhibition on Oscillating Bray-Liebhafsky Reaction: Combined Experimental and Theoretical Study
(Chemical Society of Japan, 2020)
The pyrocatechol inhibitory effect on the oscillatory Bray-Liebhafsky (BL) reaction is reported. Obtained results are compared with those available in the literature (R. Cervellati et al, Helvetica Chimica Acta 2001) for ...
Self-Assembly and Biorecognition of a Spirohydantoin Derived from α-Tetralone: Interplay between Chirality and Intermolecular Interactions
(John Wiley and Sons Inc, 2020)
A racemic spirohydantoin derivative with two aromatic substituents, a tetralin and a 4-methoxybenzyl unit, was synthesized and its crystal structure was determined. To define the relationship between molecular stereochemistry ...
Neural networks and microelectronics parameters distribution measurements depending on sintering temperature and applied voltage
(World Scientific, 2020)
This research is based on the idea to design the interface structure around the grains and thin layers between two grains, as a possible solution for deep microelectronic parameters integrations. The experiments have been ...
Investigation of potentially toxic elements in urban sediments in Belgrade, Serbia
(Taylor & Francis Group LLC, 2020)
Concentrations of 10 potentially toxic trace elements were measured in soil samples collected from 18 sites in urban areas of Belgrade, the capital and the largest city in Serbia. Samples were analysed in order to assess ...
SR-FTIR spectro-microscopic interaction study of biochemical changes in HeLa cells induced by Levan-C60, Pullulan-C60, and their cholesterol-derivatives
(Elsevier, 2020)
Abstract
Objects of the present study are improved fullerene C60 drug carrier properties trough encapsulation by microbial polysaccharides, levan (LEV), pullulan (PUL), and their hydrophobized cholesterol-derivatives (CHL ...