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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 MoS<sub>2</sub>nanoporesMurilo Kendjy, Andréia L da Rosa, Th Frauenheim
The Journal of Chemical Physics|April 20, 2005
Validation of the density-functional based tight-binding approximation method for the calculation of reaction energies and other dataThomas Krüger, Marcus Elstner, Peter Schiffels, et al.
Journal of Computer-Aided Molecular Design|October 18, 2006
Computational photochemistry of retinal proteinsMarius Wanko, Michael Hoffmann, Thomas Frauenheim, et al.
The Journal of Chemical Physics|August 17, 2010
The absorption of oxygenated silicon carbide nanoparticlesMárton Vörös, Péter Deák, Thomas Frauenheim, et al.
The Journal of Chemical Physics|March 17, 2011
First principles theoretical study of the hole-assisted conversion of CO to CO2 on the anatase TiO2(101) surfaceRaina Wanbayor, Peter Deák, Thomas Frauenheim, et al.
The Journal of Physical Chemistry Letters|November 15, 2021
Tuning Magnetic Anisotropy in Two-Dimensional Metal-Semiconductor Janus van der Waals HeterostructuresArkamita Bandyopadhyay, Cihan Bacaksiz, Junjie He, et al.
Nano Letters|September 20, 2024
Controlling Ultrafast Magnetization Dynamics via Coherent Phonon Excitation in a Ferromagnet MonolayerZhaobo Zhou, Min Li, Thomas Frauenheim, et al.
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