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Journal of Chemical Theory and Computation|November 18, 2015
Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and SolidsBálint Aradi, Anders M N Niklasson, Thomas FrauenheimChempluschem|August 27, 2021
Advances in Electrochemical Ammonia Synthesis Beyond the Use of Nitrogen Gas as a SourceTong Mou, Jun Long, Thomas Frauenheim, et al.Nano Letters|April 25, 2025
Layered Germanium-Selenium Compounds as Phonon-Glass Electron-Crystals: A Pathway to Enhance the Thermoelectric PerformanceZhen Tong, Yatian Zhang, Thomas Frauenheim, et al.Physical Review Letters|June 29, 2006
Strain-free polarization superlattice in silicon carbide: a theoretical investigationPeter Deák, Adam Buruzs, Adam Gali, et al.The Journal of Physical Chemistry. A|April 10, 2007
An efficient LDA+U based tight binding approachSimone Sanna, B Hourahine, Th Gallauner, et al.The Journal of Physical Chemistry Letters|August 18, 2015
Formation of Helices in Graphene Nanoribbons under TorsionI Nikiforov, B Hourahine, Th Frauenheim, et al.The Journal of Physical Chemistry Letters|August 19, 2015
Intrinsic Charge Separation and Tunable Electronic Band Gap of Armchair Graphene Nanoribbons Encapsulated in a Double-Walled Carbon NanotubeLiangzhi Kou, Chun Tang, Thomas Frauenheim, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 25, 2021
Electronic structure of molecular hydrogen in MoS2nanoporesMurilo Kendjy, Andréia L da Rosa, Th FrauenheimNano Letters|March 22, 2021
Unravelling Photoinduced Interlayer Spin Transfer Dynamics in Two-Dimensional Nonmagnetic-Ferromagnetic van der Waals HeterostructuresJunjie He, Shuo Li, Arkamita Bandyopadhyay, et al.Acta Paediatrica Scandinavica|March 1, 1975
Health and behaviour in four-year-old childrenE M Köhler, L KöhlerPageof 1,015