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Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model
| Naziv: | Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model | Autori: | Vujović, M.; Huynh, M.; Steiner, S.; Garcia-Fernandez, Pablo; Elstner, Marcus; Cui, Qiang; Gruden-Pavlović, Maja   |
Godina: | 2019 | Publikacija: | Journal of Computational Chemistry | ISSN: | 0192-8651 Journal of Computational Chemistry Pretraži identifikator |
Tip rezultata: | Naučni članak | Kolacija: | vol. 40 br. 2 str. 400-413 | DOI: | 10.1002/jcc.25614 | WoS-ID: | 000453013500012 | Scopus-ID: | 2-s2.0-85054695193 | PMID: | 30299559 | PMCID: | PMC6294695 | URI: | https://cherry.chem.bg.ac.rs/handle/123456789/353 https://enauka.gov.rs/handle/123456789/363396 |
Projekat: | Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (RS-172035) | M-kategorija: | 21M21 - Vodeći međunarodni časopis kategorije M21 |
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