Robust and efficient implicit solvation model for fast semiempirical methods S Ehlert, M Stahn, S Spicher, S Grimme Journal of Chemical Theory and Computation 17 (7), 4250-4261, 2021 | 262 | 2021 |
Efficient quantum chemical calculation of structure ensembles and free energies for nonrigid molecules S Grimme, F Bohle, A Hansen, P Pracht, S Spicher, M Stahn The Journal of Physical Chemistry A 125 (19), 4039-4054, 2021 | 151 | 2021 |
Quantum chemical calculation and evaluation of partition coefficients for classical and emerging environmentally relevant organic compounds T Salthammer, S Grimme, M Stahn, U Hohm, WU Palm Environmental Science & Technology 56 (1), 379-391, 2021 | 22 | 2021 |
Quantum chemical calculation of the vapor pressure of volatile and semi volatile organic compounds M Stahn, S Grimme, T Salthammer, U Hohm, WU Palm Environmental Science: Processes & Impacts 24 (11), 2153-2166, 2022 | 11 | 2022 |
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO) C Plett, M Stahn, M Bursch, JM Mewes, S Grimme The Journal of Physical Chemistry Letters 15 (9), 2462-2469, 2024 | 7 | 2024 |
Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods M Stahn, S Ehlert, S Grimme The Journal of Physical Chemistry A, 2023 | 5 | 2023 |
Proton-transfer rate constants for the determination of organic indoor air pollutants by online mass spectrometry T Salthammer, U Hohm, M Stahn, S Grimme RSC advances 13 (26), 17856-17868, 2023 | 4 | 2023 |
Dispersion Energy‐Stabilized Boron and Phosphorus Lewis Pairs B Sieland, M Stahn, R Schoch, C Daniliuc, S Spicher, S Grimme, ... Angewandte Chemie 135 (35), e202308752, 2023 | 3 | 2023 |
A kinetic study of the photolysis of sulfamethoxazole with special emphasis on the photoisomer WU Palm, N Schmidt, M Stahn, S Grimme Photochemical & Photobiological Sciences 22 (3), 615-630, 2023 | 2 | 2023 |
Processes & Impacts M Stahn, S Grimme, T Salthammer, U Hohm, WU Palm | 1 | |
Investigation and Development of Quantum Chemical Solvation Models MS Stahn Universitäts-und Landesbibliothek Bonn, 2024 | | 2024 |