Modeling metal-ligand bonds – from ground to excited states
Konferencijski prilog (Objavljena verzija)
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Prikaz svih podataka o dokumentuApstrakt
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 the impact of the ground electronic state on the fate of excited states will be emphasized.
Ključne reči:
DFT / coordination chemistry / metal-ligand bonding / chemical bonding / energy decomposition analysis / excited states / TDDFT / dissociation / neutral dissociation / irradiation chemistryIzvor:
2022Izdavač:
- TMMagCat project
Finansiranje / projekti:
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-7750288)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-200026)
- COST Action CA20129 MultIChem (Multiscale Irradiation and Chemistry Driven Processes and Related Technologies)
Napomena:
- This presentation was given at: 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022.
- Abstract: https://hdl.handle.net/21.15107/rcub_cer_5078
Povezane informacije:
- Povezani sadržaj
https://hdl.handle.net/21.15107/rcub_cer_5078
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Institucija/grupa
IHTMTY - CONF AU - Zlatar, Matija PY - 2022 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5668 AB - 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 the impact of the ground electronic state on the fate of excited states will be emphasized. PB - TMMagCat project T1 - Modeling metal-ligand bonds – from ground to excited states UR - https://hdl.handle.net/21.15107/rcub_cer_5078 ER -
@conference{ author = "Zlatar, Matija", year = "2022", abstract = "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 the impact of the ground electronic state on the fate of excited states will be emphasized.", publisher = "TMMagCat project", title = "Modeling metal-ligand bonds – from ground to excited states", url = "https://hdl.handle.net/21.15107/rcub_cer_5078" }
Zlatar, M.. (2022). Modeling metal-ligand bonds – from ground to excited states. TMMagCat project.. https://hdl.handle.net/21.15107/rcub_cer_5078
Zlatar M. Modeling metal-ligand bonds – from ground to excited states. 2022;. https://hdl.handle.net/21.15107/rcub_cer_5078 .
Zlatar, Matija, "Modeling metal-ligand bonds – from ground to excited states" (2022), https://hdl.handle.net/21.15107/rcub_cer_5078 .