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Browsing by Author Lai, Rui
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| Issue Date | Title | Author(s) | Type | Мp-cat. |
|---|---|---|---|---|
| 2020 | Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds | Stepanović, Stepan  ; Lai, Rui; Elstner, Marcus; Gruden, Maja  ; Garcia-Fernandez, Pablo; Cui, Qiang | Article | 21M21 |