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Wehling, Tim and Grundkötter-Stock, Bernhard and Aradi, B. and Niehaus, Thomas A. and Frauenheim, Th. (2013) Charge doping induced phase transitions in hydrogenated and fluorinated graphene. arXiv.org -, 1312.2276. (Submitted)

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.

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