Grimme lab
Quantum chemistry software - Made in Bonn.
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- University of Bonn
- https://www.chemie.uni-bonn.de/grimme/de
- @GrimmeLab
- xtb@thch.uni-bonn.de
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- DipCONFS-DipCONFL Public
Geometries and electronic properties of the DipCONFS benchmark and DipCONFL data set.
grimme-lab/DipCONFS-DipCONFL’s past year of commit activity - GFN-FF_Ln_An Public
This repository is dedicated to the publication "Fast and Robust Modeling of Lanthanide- and Actinide-Containing Complexes, Biomolecules, and Molecular Crystals with the extended GFN-FF model".
grimme-lab/GFN-FF_Ln_An’s past year of commit activity