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Приказ резултата 11-20 од 74
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 ...
TMMagCat - D3.1 Report on the TMMagCat website / TMMagCat - D3.1 Извештај o TMMagCat веб страници
(TMMagCat projectUniversity of Belgrade - Institute of Chemistry, Technology and Metallurgy, 2022)
Deliverable D3.1, entitled Report on the TMMagCat website, aims to describe the design and contents of the TMMagCat website and present the designed logo for the Project.
Unexpected Ni(III) complex with hydrazone lignad – spin state analysis / Neočekivani Ni(III) komleks sa hidrazonskim ligandom – analiza spinskih stanja
(TMMagCat project, 2023)
During synthesis of Ni(II) complex with (E)−1-(2-oxo-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)ethyl)pyridin-1-ium ligand (L) unexpected oxidation of Ni(II) to Ni(III) with atmospheric oxygen occurred at mild conditions. ...
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 ...
Coordination preferences of Shiff base ligands with transition metals: DFT study
(Society of Biological Inorganic Chemistry, 2022)
To rationalize coordination preferences of the ligands to form mono- or binuclear complexes and coordinate differently, together with the electronic structure of transition metal ions, we performed Density Functional Theory ...
Modeling metal-ligand bonds – from ground to excited states
(Frankfurt, Germany : MBN Research Center gGmbH, 2022)
In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly
based on the density functional calculations. The influence of the excited states on the electronic ground state ...
Lecture: "Open Science" / Predavanje: "Otvorena nauka"
(TMMagCat project, 2023)
U ovoj prezentaciji predstavljeni su osnovni principi "otvorene nauke." Predstavljena je dobra praksa u primeni tih principa. U okviru prezentacije je predstavljen institucionalni repozitorijum IHTM-a. Na primeru TMMagCat ...
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 ...
TMMagCat - D4.1 Report on the kick-off meeting / TMMagCat - D4.1 Извештај са уводног састанка
(TMMagCat projectUniversity of Belgrade - Institute of Chemistry, Technology and Metallurgy, 2022)
Deliverable D4.1, Report on the kick-off meeting, aims to present minutes from the kick-off meeting and forming the management structure of the TMMagCat project.
Modeling metal-ligand bonds – from ground to excited states
(TMMagCat project, 2022)
In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and ...