Modeling metal-ligand bonds – from ground to excited states
Konferencijski prilog (Objavljena verzija)
Metapodaci
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:
Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022, 2022, 44-Izdavač:
- Frankfurt, Germany : MBN Research Center gGmbH
Finansiranje / projekti:
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
- Ministarstvo nauke, tehnološkog razvoja i inovacija Republike Srbije, institucionalno finansiranje - 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-MESTD-inst-2020-200026)
- COST Action CA20129 MultIChem (Multiscale Irradiation and Chemistry Driven Processes and Related Technologies)
Napomena:
- Presentation: https://cer.ihtm.bg.ac.rs/handle/123456789/5668
Povezane informacije:
- Povezani sadržaj
https://cer.ihtm.bg.ac.rs/handle/123456789/5668
Institucija/grupa
IHTMTY - CONF AU - Zlatar, Matija PY - 2022 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/5078 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 - Frankfurt, Germany : MBN Research Center gGmbH C3 - Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022 T1 - Modeling metal-ligand bonds – from ground to excited states SP - 44 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 = "Frankfurt, Germany : MBN Research Center gGmbH", journal = "Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022", title = "Modeling metal-ligand bonds – from ground to excited states", pages = "44", url = "https://hdl.handle.net/21.15107/rcub_cer_5078" }
Zlatar, M.. (2022). Modeling metal-ligand bonds – from ground to excited states. in Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022 Frankfurt, Germany : MBN Research Center gGmbH., 44. https://hdl.handle.net/21.15107/rcub_cer_5078
Zlatar M. Modeling metal-ligand bonds – from ground to excited states. in Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022. 2022;:44. https://hdl.handle.net/21.15107/rcub_cer_5078 .
Zlatar, Matija, "Modeling metal-ligand bonds – from ground to excited states" in Book of abstracts - 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022 (2022):44, https://hdl.handle.net/21.15107/rcub_cer_5078 .