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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 ...
The role of molecular properties of mononitrofluoranthenes to their mutagenic activity: Insight from ab initio and DFT calculations / Uloga molekulskih osobina mononitrofluorantena u njihovoj mutagenoj aktivnosti :AB initio i DFT pristup
(Serbia : Serbian Chemical Society, 2019)
The molecular properties of the environmental mutagens nitrofluoranthenes (NFs; 1-, 2-, 3-, 7- and 8-NF), such as (hyper)polarizability, dipole moment, molecular electrostatic potential (MEP), spectroscopic characteristics, ...
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 ...
Mechanical characterization of copper coatings electrodeposited onto different substrates with and without ultrasound assistance
(Belgrade : Serbian Chemical Society, 2019)
The mechanical properties of systems consisting of copper coatings
electrodeposited on both brass sheet (BS) and thick electrodeposited nickel
coating (ED Ni) substrates have been investigated. The electrodeposition ...
Design of an amino-functionalized chelating macroporous copolymer poly(GMA-co-EGDMA) for the sorption of Cu(II) ions / Дизајн аминофункционализованих хелатних макропорозних кополимера поли(гма-ко-егдма) за сорпцију Cu(ii) јона
(Belgrade : Serbian Chemical Society, 2019)
Polymer-based, highly porous nanocomposites with functionalized ligands attached to the core structure are extremely efficient in the detection, removal and recovery of metals through the process of sorption. Quantum-chemical ...
Aluminum/zirconium alloys obtained by Al underpotential deposition onto Zr from low temperature AlCl3+NaCl molten salts / Легуре алуминијума и цирконијума добијене електрохемијским таложењем алуминијума при потпотенцијалу на цирконијуму из нискотемпературних AlCl3+NaCl растопа
(Belgrade : Serbian Chemical Society, 2019)
Contrary to the widely accepted hypothesis that it is not possible, aluminum underpotential deposition (UPD) onto zirconium from a low temperature (200, 250 and 300 °C) equimolar chloroaluminate melt was recorded. Furthermore, ...
Overpotential controls the morphology of electrolytically produced copper dendritic forms / Пренапетост контролише морфологију електролитички произведених дендритичних форми бакра
(Belgrade : Serbian Chemical Society, 2019)
The morphologies of copper dendritic forms obtained in both potentiostatic and galvanostatic regimes of electrolysis with various amounts of the electricity were analyzed by the scanning electron microscopy (SEM) technique. ...
Synthesis of novel piperazino-alkyl-1H-benzo[d]imidazole derivates and assessment of their interactions with the D2 dopamine receptor
(Serbian Chemical Society, 2019)
A total of 14 novel arylpiperazines were synthesized, and pharmacologically evaluated by measuring their affinities towards the D2 dopamine receptor (D2DR) in a [3H]spiperone competition assay. All herein described compounds ...
Synthesis of novel piperazino-alkyl-1H-benzo[d]imidazole derivates and assessment of their interactions with the D2 dopamine receptor
(Serbian Chemical Society, 2019)
A total of 14 novel arylpiperazines were synthesized, and pharmacologically evaluated by measuring their affinities towards the D2 dopamine receptor (D2DR) in a [3H]spiperone competition assay. All herein described compounds ...
Synthetic route towards potential bivalent ligands possessing opioid and D2/D3 pharmacophores / Синтетички пут за синтезу потенцијалних, бивалентних лиганада који поседују опоидну и допамин Д2/Д3 фармакогфору
(Serbian Chemical Society, 2019)
A scalable, cost-efficient and simple synthetic pathway towards potential bivalent opioid/dopamine receptor ligands was developed and optimized. Three novel compounds that contain both opioid and dopamine pharmacophores ...