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The Journal of Physical Chemistry. A|August 11, 2023
Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical MethodsMarcel Stahn, Sebastian Ehlert, Stefan Grimme
Journal of Chemical Theory and Computation|June 29, 2021
Robust and Efficient Implicit Solvation Model for Fast Semiempirical MethodsSebastian Ehlert, Marcel Stahn, Sebastian Spicher, et al.
The Journal of Physical Chemistry. A|May 26, 2022
Conformational Energy Benchmark for Longer <i>n</i>-Alkane ChainsSebastian Ehlert, Stefan Grimme, Andreas Hansen
Journal of Chemical Theory and Computation|February 12, 2019
GFN2-xTB-An Accurate and Broadly Parametrized Self-Consistent Tight-Binding Quantum Chemical Method with Multipole Electrostatics and Density-Dependent Dispersion ContributionsChristoph Bannwarth, Sebastian Ehlert, Stefan Grimme
RSC Advances|June 16, 2023
Proton-transfer rate constants for the determination of organic indoor air pollutants by online mass spectrometryTunga Salthammer, Uwe Hohm, Marcel Stahn, et al.
Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society for Photobiology|December 5, 2022
A kinetic study of the photolysis of sulfamethoxazole with special emphasis on the photoisomerWolf-Ulrich Palm, Nicola Schmidt, Marcel Stahn, et al.
The Journal of Chemical Physics|August 9, 2024
dxtb-An efficient and fully differentiable framework for extended tight-bindingMarvin Friede, Christian Hölzer, Sebastian Ehlert, et al.
The Journal of Chemical Physics|April 9, 2022
Dispersion corrected r<sup>2</sup>SCAN based global hybrid functionals: r<sup>2</sup>SCANh, r<sup>2</sup>SCAN0, and r<sup>2</sup>SCAN50Markus Bursch, Hagen Neugebauer, Sebastian Ehlert, et al.
Environmental Science & Technology|December 21, 2021
Quantum Chemical Calculation and Evaluation of Partition Coefficients for Classical and Emerging Environmentally Relevant Organic CompoundsTunga Salthammer, Stefan Grimme, Marcel Stahn, et al.
Environmental Science. Processes & Impacts|October 12, 2022
Quantum chemical calculation of the vapor pressure of volatile and semi volatile organic compoundsMarcel Stahn, Stefan Grimme, Tunga Salthammer, et al.
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