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Приказ резултата 11-20 од 72
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 ...
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 ...
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 ...
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 ...
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. ...
Supporting Information for: "Correlating Structure and KA2 Catalytic Activity of Zn(II) Hydrazone Complexes"
(Wiley, 2023)
Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, ...
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 ...
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.
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 ...