dxtb—An efficient and fully differentiable framework for extended tight-binding.
| Autor: | Friede, Marvin1 (AUTHOR), Hölzer, Christian1 (AUTHOR), Ehlert, Sebastian2 (AUTHOR), Grimme, Stefan1 (AUTHOR) grimme@thch.uni-bonn.de |
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| Zdroj: | Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-17. 17p. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
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