| Systematic microsolvation approach with a cluster‐continuum scheme and conformational sampling GN Simm, PL Türtscher, M Reiher Journal of computational chemistry 41 (12), 1144-1155, 2020 | 72 | 2020 |
| Expansive quantum mechanical exploration of chemical reaction paths A Baiardi, SA Grimmel, M Steiner, PL Türtscher, JP Unsleber, ... Accounts of chemical research 55 (1), 35-43, 2021 | 35 | 2021 |
| Pathfinder─Navigating and Analyzing Chemical Reaction Networks with an Efficient Graph-Based Approach PL Türtscher, M Reiher Journal of Chemical Information and Modeling 63 (1), 147-160, 2022 | 22 | 2022 |
| Solvation free energies in subsystem density functional theory M Bensberg, PL Türtscher, JP Unsleber, M Reiher, J Neugebauer Journal of Chemical Theory and Computation 18 (2), 723-740, 2022 | 21 | 2022 |
| Palladium-catalysed cross-coupling of benzylammonium salts with boronic acids under mild conditions PL Türtscher, HJ Davis, RJ Phipps Synthesis 50 (04), 793-802, 2018 | 19 | 2018 |
| Reiher C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... M. qcscine/readuct: Release 4 (0), 2022 | 9 | 2022 |
| Reiher M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, PL Türtscher, ... M. qcscine/chemoton: Release 2 (0), 2022 | 9 | 2022 |
| qcscine/puffin: Release 1.2. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | 5 | 2023 |
| SCINE—Software for chemical interaction networks T Weymuth, JP Unsleber, PL Türtscher, M Steiner, JG Sobez, CH Müller, ... The Journal of Chemical Physics 160 (22), 2024 | 4 | 2024 |
| qcscine/chemoton: Release 2.2. 0 M Bensberg, SA Grimmel, GN Simm, JG Sobez, M Steiner, P Türtscher, ... ETH Zurich, 2022 | 4 | 2022 |
| qcscine/readuct: Release 3.0. 0 C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, M Steiner, ... ETH Zurich, Laboratory of Physical Chemistry, 2021 | 4 | 2021 |
| qcscine/database: Release 1.2. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, P Türtscher, JP Unsleber, ... Zenodo, 2023 | 3 | 2023 |
| Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks CH Müller, M Steiner, JP Unsleber, T Weymuth, M Bensberg, KS Csizi, ... The Journal of Physical Chemistry A 128 (41), 9028-9044, 2024 | 2 | 2024 |
| qcscine/utilities: Release 3.0. 1 F Bosia, C Brunken, SA Grimmel, MP Haag, MA Heuer, GN Simm, ... CERN, 2020 | 2 | 2020 |
| IODAQ Exploration Data Set P Türtscher, M Reiher CERN, 2024 | 1 | 2024 |
| qcscine/heron: Release 2.0. 0 M Bensberg, GP Brandino, Y Can, KS Csizi, M Del, SA Grimmel, M Mesiti, ... | 1 | 2024 |
| qcscine/database: Release 1.4. 0 M Bensberg, SA Grimmel, JG Sobez, M Steiner, P Türtscher, JP Unsleber, ... | 1 | 2024 |
| qcscine/readuct: Release 5.0. 0 M Bensberg, C Brunken, KS Csizi, SA Grimmel, S Gugler, JG Sobez, ... Zenodo, 2023 | 1 | 2023 |
| qcscine/chemoton: Release 3.0. 0 M Bensberg, SA Grimmel, L Lang, GN Simm, JG Sobez, M Steiner, ... Zenodo, 2023 | 1 | 2023 |
| qcscine/utilities: Release 7.0. 0 A Baiardi, M Bensberg, F Bosia, C Brunken, KS Csizi, R Feldmann, ... CERN, 2023 | 1 | 2023 |
