@ARTICLE{
author={Vujovic Milena,Huynh Mioy,Steiner Sebastian,Garcia-Fernandez Pablo,Elstner Marcus,Cui Qiang,Gruden Maja A},
year={2019},
title={Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model},
journal={JOURNAL OF COMPUTATIONAL CHEMISTRY},
volume={40},
number={2},
pages={400-413},
document_type={Article},
}