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The Journal of Physical Chemistry. A|June 8, 2007
Self-interaction and strong correlation in DFTBB Hourahine, S Sanna, B Aradi, et al.
Journal of the American Chemical Society|July 18, 2001
A hydrogen storage mechanism in single-walled carbon nanotubesS M Lee, K H An, Y H Lee, et al.
Journal of Chemical Theory and Computation|November 20, 2015
Parametrization of the SCC-DFTB Method for HalogensTomáš Kubař, Zoltán Bodrog, Michael Gaus, et al.
Journal of Computational Chemistry|August 18, 2015
SCC-DFTB parameters for simulating hybrid gold-thiolates compoundsArnaud Fihey, Christian Hettich, Jérémy Touzeau, et al.
Advances in Statistical Analysis : Asta : a Journal of the German Statistical Society|October 10, 2022
Control charts for measurement error modelsVasyl Golosnoy, Benno Hildebrandt, Steffen Köhler, et al.
The Journal of Physical Chemistry Letters|July 15, 2020
Optically Driven Ultrafast Magnetic Order Transitions in Two-Dimensional Ferrimagnetic MXenesJunjie He, Thomas Frauenheim
The Journal of Physical Chemistry Letters|August 22, 2015
Activity and Synergy Effects on a Cu/ZnO(0001) Surface Studied Using First-Principle ThermodynamicsJianping Xiao, Thomas Frauenheim
Physical Review Letters|September 16, 2000
Adsorption and desorption of an O2 molecule on carbon nanotubesZhu, Lee, Lee, et al.
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