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The choice of the exchange-correlation functional for the determination of the Jahn-Teller parameters by the density functional theory
| Title: | The choice of the exchange-correlation functional for the determination of the Jahn-Teller parameters by the density functional theory | Authors: | Anđelković, Ljubica   ; Gruden-Pavlović, Maja ; Daul, Claude; Zlatar, Matija |
Issue Date: | 2013 | Publication: | International Journal of Quantum Chemistry | ISSN: | 0020-7608 International Journal of Quantum Chemistry Search Idenfier |
Publisher: | Wiley-Blackwell, Hoboken | Type: | Article | Collation: | vol. 113 br. 6 str. 859-864 | DOI: | 10.1002/qua.24245 | WoS-ID: | 000314928300017 | Scopus-ID: | 2-s2.0-84873718449 | URI: | https://cherry.chem.bg.ac.rs/handle/123456789/1600 https://enauka.gov.rs/handle/123456789/324500 https://cer.ihtm.bg.ac.rs/handle/123456789/1277 |
Project: | Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (RS-172035) Swiss National Science Foundation |
M-category: | 21M21 |
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