Преглед аутора: "Lai, Rui"
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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 (Royal Society of Chemistry (RSC), 2020)