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Quantum chemical insight into excited states of organometallic molecules
(MBN Research Center gGmbH, 2023)
In this talk, we will illustrate how different quantum chemical flavors are used in practice to deal with the excited states of organometallic and coordination compounds. We will show examples of the use of the time-dependent ...
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 ...
CCDC 2220147: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
(The Cambridge Crystallographic Data Centre (CCDC), 2023)
TEZLUJ : New Structure undergoing enhancement Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°
CCDC 2220150: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
(The Cambridge Crystallographic Data Centre (CCDC), 2023)
TEZMIY: Space Group: P 21/n (14), Cell: a 11.0042(12)Å b 12.8657(8)Å c 12.5820(12)Å, α 90° β 115.436(13)° γ 90°
Electronic Supplementary Information for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
(Royal Society of Chemistry (RSC), 2023)
Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 ...
Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex
(Royal Society of Chemistry (RSC), 2023)
Dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz) was used as a ligand for the synthesis of new copper(II) and silver(I) complexes, [CuCl2(py-2pz)]2 (1), [Cu(CF3SO3)(H2O)(py-2pz)2]CF3SO3·2H2O (2), [Ag(py-2pz)2]PF6 ...
CCDC 2220148: Experimental Crystal Structure Determination. Crystallographic data for: "Copper(II) and silver(I) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex"
(The Cambridge Crystallographic Data Centre (CCDC), 2023)
TEZMAQ; Space Group: P 1 (2), Cell: a 8.2856(3)Å b 12.1191(5)Å c 19.2393(6)Å, α 82.105(3)° β 86.220(3)° γ 77.071(3)°
Predavanje: "Praktični aspekti otvorene nauke – razmišljanja jednog hemičara" / Lecture: "Practical aspects of open science - thoughts of a chemist"
(Zajednica otvorene nauke Srbije / Open Science Community SerbiaTMMagCat project, 2023)
Otvorena nauka je sagledana sa ličnog stanovišta istraživača, administratora institucionalnog repozitorijuma i rukovodioca naučnog projekta. U okviru prezentacije je predstavljen institucionalni repozitorijum IHTM-a. Na ...
Rezime predavanja: "Praktični aspekti otvorene nauke – razmišljanja jednog hemičara" / Abstract of the lecture: "Practical aspects of open science - thoughts of a chemist"
(Zajednica otvorene nauke Srbije / Open Science Community SerbiaTMMagCat project, 2023)
Otvorena nauka je sagledana sa ličnog stanovišta istraživača, administratora institucionalnog repozitorijuma i rukovodioca naučnog projekta. U okviru prezentacije je predstavljen institucionalni repozitorijum IHTM-a. Na ...
Rational Design of Single-Ion Magnets – Computational Chemistry Approach
(Serbian Ceramic Society, 2023)
In this talk, the computational study of magnetic anisotropy in a series of transition metal complexes will be presented when changing the metal ion or the ligands in a controlled way. We will discuss the influences of ...