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Validation of the density-functional based tight-binding approximation method for the calculation of reaction

Thomas Krüger1, Marcus Elstner, Peter Schiffels

  • 1Theoretical Physics, Faculty of Science, University of Paderborn Warburger Strasse 100, Germany. t.krueger@phys.uni-paderborn.de

The Journal of Chemical Physics
|April 20, 2005
PubMed

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