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Journal of Chemical Information and Modeling
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August 7, 2025
ConfRank+: Extending Conformer Ranking to Charged Molecules
Rick Oerder, Christian Hölzer, Jan Hamaekers
The Journal of Chemical Physics
|
August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding
Marvin Friede, Christian Hölzer, Sebastian Ehlert, et al.
Journal of Chemical Information and Modeling
|
November 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training
Christian Hölzer, Rick Oerder, Stefan Grimme, et al.
Journal of Chemical Information and Modeling
|
January 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set
Christian Hölzer, Igor Gordiy, Stefan Grimme, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
August 7, 2025
ConfRank+: Extending Conformer Ranking to Charged Molecules
Rick Oerder, Christian Hölzer, Jan Hamaekers
The Journal of Chemical Physics
|
August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-binding
Marvin Friede, Christian Hölzer, Sebastian Ehlert, et al.
Journal of Chemical Information and Modeling
|
November 20, 2024
ConfRank: Improving GFN-FF Conformer Ranking with Pairwise Training
Christian Hölzer, Rick Oerder, Stefan Grimme, et al.
Journal of Chemical Information and Modeling
|
January 18, 2024
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes─The LnQM Data Set
Christian Hölzer, Igor Gordiy, Stefan Grimme, et al.
Page
of 1