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For the same purpose, the time\u2010dependent DFT techniques were used. A very good agreement between NEVPT2 and experimental spectra should be highlighted, especially for the MLCT transitions that occur in visible and near\u2010UV regions ( cm). Moreover, the present study offers description of excited states of titled osmium complexes and their spectra interpretation using molecular orbitals.<\/jats:p>","DOI":"10.1002\/jcc.27372","type":"journal-article","created":{"date-parts":[[2024,4,22]],"date-time":"2024-04-22T13:06:06Z","timestamp":1713791166000},"page":"1750-1761","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Ab initio multireference calculation of electronic spectra of the osmium complexes, [Os(bpy)\u20093]\u20092+ and [Os(phen)\u20093]\u20092+"],"prefix":"10.1002","volume":"45","author":[{"given":"Sa\u0161a","family":"Terek","sequence":"first","affiliation":[{"name":"Faculty of Physical Chemistry University of Belgrade  Belgrade Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6409-4534","authenticated-orcid":false,"given":"Milan","family":"Milovanovi\u0107","sequence":"additional","affiliation":[{"name":"Faculty of Physical Chemistry University of Belgrade  Belgrade Serbia"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2024,4,22]]},"reference":[{"key":"e_1_2_7_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0065-2792(08)60049-7"},{"key":"e_1_2_7_3_1","first-page":"1","volume-title":"Advances in Heterocyclic Chemistry","author":"Summers L. 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