Stefan Grimme
13PUBLICATIONS
41CO-AUTHORS
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Publications (13)
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|Sep 16, 2021
Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory.Paul Zaby, Johannes Ingenmey, Barbara Kirchner
|Jul 16, 2021
Revisiting conformations of methyl lactate in water and methanol.Sergey A Katsyuba, Sebastian Spicher, Tatiana P Gerasimova
|Feb 16, 2021
r2SCAN-3c: A "Swiss army knife" composite electronic-structure method.Stefan Grimme, Andreas Hansen, Sebastian Ehlert
|Sep 03, 2020
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation.Marc de Wergifosse, Jakob Seibert, Stefan Grimme
|May 03, 2020
The first microsolvation step for furans: New experiments and benchmarking strategies.Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima
|Apr 22, 2019
A generally applicable atomic-charge dependent London dispersion correction.Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen
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Frequent Collaborators
7 joint publications
Andreas Hansen
3 joint publications
Marc de Wergifosse
3 joint publications
Sebastian Ehlert
2 joint publications
Hannes C Gottschalk
2 joint publications
Anja Poblotzki
2 joint publications
Martin A Suhm
2 joint publications
Leonardo Baptista
2 joint publications
David M Benoit
2 joint publications
Michael E Harding
2 joint publications
Majdi Hochlaf
