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Supplementary data for article: Anđelković, L.; Gruden-Pavlović, M.; Daul, C.; Zlatar, M. The Choice of the Exchange-Correlation Functional for the Determination of the Jahnteller Parameters by the Density Functional Theory. International Journal of Quantum Chemistry 2013, 113 (6), 859–864. https://doi.org/10.1002/qua.24245
dc.creator | Anđelković, Ljubica | |
dc.creator | Gruden-Pavlović, Maja | |
dc.creator | Daul, Claude | |
dc.creator | Zlatar, Matija | |
dc.date.accessioned | 2019-10-17T10:58:25Z | |
dc.date.available | 2019-10-17T10:58:25Z | |
dc.date.issued | 2013 | |
dc.identifier.issn | 0020-7608 | |
dc.identifier.uri | https://cherry.chem.bg.ac.rs/handle/123456789/3551 | |
dc.publisher | Wiley-Blackwell, Hoboken | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS// | |
dc.relation | Swiss National Science Foundation | |
dc.rights | openAccess | |
dc.rights.uri | https://creativecommons.org/licenses/by-sa/4.0/ | |
dc.source | International Journal of Quantum Chemistry | |
dc.subject | multideterminantal density functional theory | en |
dc.subject | exchange-correlation functional | en |
dc.subject | JahnTeller effect | en |
dc.subject | small aromatic organic radicals | en |
dc.subject | metal clusters | en |
dc.subject | organometallic compounds | en |
dc.subject | Werner-type complexes | en |
dc.title | Supplementary data for article: Anđelković, L.; Gruden-Pavlović, M.; Daul, C.; Zlatar, M. The Choice of the Exchange-Correlation Functional for the Determination of the Jahnteller Parameters by the Density Functional Theory. International Journal of Quantum Chemistry 2013, 113 (6), 859–864. https://doi.org/10.1002/qua.24245 | en |
dc.type | dataset | |
dc.rights.license | BY-SA | |
dcterms.abstract | Aнђелковић, Љубица; Груден-Павловић, Маја; Даул, Цлауде; Златар, Матија; | |
dc.description.other | Supporting information for: [https://doi.org/10.1002/qua.24245] | |
dc.description.other | Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1600] | |
dc.type.version | publishedVersion | en |
dc.identifier.fulltext | https://cherry.chem.bg.ac.rs/bitstream/id/15573/The_choice_of_sup_2013.pdf | |
dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_cherry_3551 |