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The role of DFT in characterization of coordination compounds: opportunities and challenges
(Viena, Austria : Institute of Applied Synthetic Chemistry, TU WienChemIT e.U., 2023)
In the last two decades, considerable theoretical efforts have been made to develop suitable methods for predicting and rationalizing the complicated electronic structure of TM compounds. However, the matter remains open ...
Palladium-copper bimetallic nanocatalyst for electrochemical ethanol oxidation and oxygen reduction in alkaline media
(Lausanne, Switzerland : International Society of Electrochemistry, 2023)
The necessity of replacement of traditional energy sources with renewable and green alternatives has initiated vast research of direct alcohol fuel cells (DAFC). Ethanol is non-toxic and its crossover through a membrane ...
Understanding the fate of electronically excited states by quantum chemical calculations
(Prague, Czech Republic : J. Heyrovský Institute of Physical Chemistry CAS, 2023)
The electronically excited states of transition metal complexes are classified into inter-configurational and intra-configurational metal-centered, ligand-centered, and charge transfer
states. Different (de)localization ...
Modeling the Non-Linear Dynamics of Information Flows in Neuro-Endocrine Systems
(Belgrade : Research and Development institute Lola LtdCOST Action CA21169 DYNALIFE, 2023)
Nonlinear feedback loops inherent to neuroendocrine systems are among the most important information flows at the organism level. They support high sensitivity and responsiveness of the living beings to external perturbations. ...
Spin states of Mn(II) and Fe(III) complexes with thiosemicarbazone
(Viena, Austria : Institute of Applied Synthetic Chemistry, TU WienChemIT e.U., 2023)
Mn(II) and Fe(III) complexes with condensation product of thiosemicarbazide and 2-acetylthiazole have been synthesized and characterized by single-crystal X-ray diffraction. Two complexes have the same ligand system – bis ...
Synthesis of a New Family of Zn(II) Hydrazone Complexes: Characterisation, Catalytic Activity, and DFT Calculations
(COST action CA21101 (COSY), 2023)
The ligand (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide (HL1 ) was obtained from the condensation of 2-acetylthiazole and thiosemicarbazide. Upon reacting HL1 with Zn(BF4)2·6H2O and NaN3 in a solvent ...
Synthesis and characterization of Mn(II) and Fe(III) complexes with the condensation product of thiosemicarbazide and 2-acetylthiazole
(COST action CA21101 (COSY), 2023)
The HL ligand, (E)-2-(1-(thiazol-2-yl)ethylidene)hydrazine-1-carbothioamide, was obtained from the condensation reaction of thiosemicarbazide and 2-acetylthiazole in water. The reaction of the HL ligand with the metal ...
Synthesis and characterization of Ni(III) complex with condensation product of 2-acetylpyridine and Girard’s P reagent
(Belgrade, Serbia : Materials Research Society of Serbia, 2023)
The ligand (HLCl) was synthetized by the reaction of 2-acetylpyridine and Girard’s P reagent in molar ratio 1 : 1 in ethanol (1–2 drops of cc. HCl were added). The reaction of hydrazone ligand
with the metal salt ...
Influence of Morphology of Sn Dendrites as Sub-layer on Electrolcatalytic Performance of Sn-Pd Electrocatalysts
(Lausanne, Switzerland : International Society of Electrochemistry, 2023)
Sn-Pd electrocatalysts convenient for a possible application in direct ethanol fuel cell were produced by two electrochemical deposition method. In the first step, Sn dendrites of various degree of ramification were ...
Formic acid electrooxidation on Ni-supported platinum thin film catalyst / Oksidacija mravlje kiseline na platinskim katalizatorima na Ni nosaču
(Serbian society of corrosion and materials protection (UISKoZaM) / Udruženje inženjera Srbije za koroziju i zaštitu materijala, 2023)
Pollution caused by the usage of fossil fuels is a consequence of industrialization, urbanization, and technological development, having a huge impact on the environment and human health. Thus, one of the biggest challenges ...