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Boustani, Ihsan and Zhu, Zhen and Tománek, David. (2011) Search for the largest two-dimensional aggregates of boron: An ab initio study. Physical Review B, 83 (19). ISSN 1098-0121

Weck, Philippe F. and Kim, Eunja and Czerwinski, Kenneth R. and Tománek, David. (2010) Structural and magnetic properties of Tc_{n}@C_{60} endohedral metalofullerenes: First-principles predictions. Physical Review B, 81 (12). ISSN 1098-0121

Kim, Eunja and Weck, Philippe and Berber, Savas and Tománek, David. (2008) Mechanism of fullerene hydrogenation by polyamines: Ab initio density functional calculations. Physical Review B, 78 (11). p. 113404. ISSN 1098-0121

Chang, Kiseok and Berber, Savas and Tománek, David. (2008) Transforming Carbon Nanotubes by Silylation: An Ab Initio Study. Physical Review Letters, 100 (23). p. 236102. ISSN 0031-9007

Berber, Savas and Tománek, David. (2008) Modeling the destruction of realistic nanotube emitters: Relative role of charging and temperature. Physical Review B, 77 (7). 073407. ISSN 1098-0121

Miller, Glen P. and Kintigh, Jeremy and Kim, Eunja and Weck, Philippe F. and Berber, Savas and Tománek, David. (2008) Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine Reagents: Combined Experimental and Theoretical Study. Journal of the American Chemical Society, 130 (7). pp. 2296-2303. ISSN 0002-7863

Nemec, Norbert and Tománek, David and Cuniberti, Gianaurelio. (2006) Contact Dependence of Carrier Injection in Carbon Nanotubes: An Ab Initio Study. Physical Review Letters, 96 (7). ISSN 0031-9007

Kwon, Young-Kyun and Berber, Savas and Tománek, David. (2005) Kwon, Berber, and Tománek Reply:. Physical Review Letters, 94 (20). ISSN 0031-9007