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Modeling metal-ligand bonds – from ground to excited states
dc.creator | Zlatar, Matija | |
dc.date.accessioned | 2023-02-07T14:39:15Z | |
dc.date.available | 2023-02-07T14:39:15Z | |
dc.date.issued | 2022 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/5668 | |
dc.description.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. | sr |
dc.language.iso | en | sr |
dc.publisher | TMMagCat project | sr |
dc.relation | info:eu-repo/grantAgreement/ScienceFundRS/Ideje/7750288/RS// | sr |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | sr |
dc.relation | COST Action CA20129 MultIChem (Multiscale Irradiation and Chemistry Driven Processes and Related Technologies) | sr |
dc.relation.isreferencedby | https://hdl.handle.net/21.15107/rcub_cer_5078 | |
dc.rights | openAccess | sr |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.subject | DFT | sr |
dc.subject | coordination chemistry | sr |
dc.subject | metal-ligand bonding | sr |
dc.subject | chemical bonding | sr |
dc.subject | energy decomposition analysis | sr |
dc.subject | excited states | sr |
dc.subject | TDDFT | sr |
dc.subject | dissociation | sr |
dc.subject | neutral dissociation | sr |
dc.subject | irradiation chemistry | sr |
dc.title | Modeling metal-ligand bonds – from ground to excited states | sr |
dc.type | conferenceObject | sr |
dc.rights.license | BY | sr |
dc.rights.holder | TMMagCat | sr |
dc.description.other | 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. | |
dc.description.other | Abstract: [https://hdl.handle.net/21.15107/rcub_cer_5078] | |
dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_cer_5078 | |
dc.identifier.fulltext | http://cer.ihtm.bg.ac.rs/bitstream/id/23740/bitstream_23740.pdf | |
dc.type.version | publishedVersion | sr |
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Prezentacije / Presentations
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TMMagCat
Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes