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Wehling, Tim O. and Grundkötter-Stock, Bernhard and Aradi, B. and Frauenheim, Th. and Niehaus, Thomas A. (2014) Charge-doping-induced phase transitions in hydrogenated and fluorinated graphene. Physical Review B (PRB) 90, 085422.
Dominguez, A. and Aradi, B. and Frauenheim, Th. and Lutsker, Vitalij and Niehaus, Thomas A. (2013) Extensions of the time-dependent density functional based tight-binding approach. J. Chem. Theory Comput. 9, p. 4901.
Hourahine, B. and Sanna, S. and Aradi, B. and Köhler, C. and Niehaus, Thomas A. and Frauenheim, Th. (2007) Self-Interaction and Strong Correlation in DFTB. J. Phys. Chem. A 111, p. 5671.