| The subsystem quantum chemistry program Serenity N Niemeyer, P Eschenbach, M Bensberg, J Tölle, L Hellmann, L Lampe, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (3), e1647, 2023 | 15 | 2023 |
| Cooperative Magnetism in Crystalline N‐Aryl‐Substituted Verdazyl Radicals: First‐Principles Predictions and Experimental Results S Eusterwiemann, T Dresselhaus, C Doerenkamp, O Janka, O Niehaus, ... Chemistry–A European Journal 23 (25), 6069-6082, 2017 | 14 | 2017 |
| Synthesis and Reactivity of a Neutral Homocyclic Silylene J Keuter, A Hepp, A Massolle, J Neugebauer, C Mück‐Lichtenfeld, F Lips Angewandte Chemie International Edition 61 (5), e202114485, 2022 | 11 | 2022 |
| Towards reliable references for electron paramagnetic resonance parameters based on quantum chemistry: the case of verdazyl radicals A Massolle, T Dresselhaus, S Eusterwiemann, C Doerenkamp, H Eckert, ... Physical Chemistry Chemical Physics 20 (11), 7661-7675, 2018 | 10 | 2018 |
| Subsystem density-functional theory for interacting open-shell systems: spin densities and magnetic exchange couplings A Massolle, J Neugebauer Faraday Discussions 224, 201-226, 2020 | 9 | 2020 |
| qcserenity/serenity: Release 1.4. 0 D Barton, M Bensberg, M Böckers, T Dresselhaus, P Eschenbach, ... Zenodo. https://doi. org/10.5281/ZENODO 5589628, 2021 | 8 | 2021 |
| Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts J Exner, S Eusterwiemann, O Janka, C Doerenkamp, A Massolle, ... Physical Chemistry Chemical Physics 20 (46), 28979-28983, 2018 | 6 | 2018 |
| qcserenity/serenity: Release 140. 2021 D Barton, M Bensberg, M Böckers, T Dresselhaus, P Eschenbach, ... DOI, 0 | 5 | |
| Synthese und Reaktivität eines Neutralen Homozyklischen Silylens J Keuter, A Hepp, A Massolle, J Neugebauer, C Mück‐Lichtenfeld, F Lips Angewandte Chemie 134 (5), e202114485, 2022 | 3 | 2022 |
| Pragmatic improvement of magnetic exchange couplings from subsystem density-functional theory through orthogonalization of subsystem orbitals A Massolle, J Neugebauer The Journal of Physical Chemistry C 125 (11), 6176-6188, 2021 | 3 | 2021 |
| Electronic effects in profluorescent benzotriazinyl radicals: a combined experimental and theoretical study J Exner, I Maisuls, A Massolle, S Klabunde, MR Hansen, CA Strassert, ... Physical Chemistry Chemical Physics 23 (4), 2999-3007, 2021 | 3 | 2021 |
| Computer aided recipe design: optimization of polydisperse chemical mixtures using molecular descriptors A MacKenzie, J Schneider, J Meyer, C Loschen Reaction Chemistry & Engineering 9 (5), 1061-1076, 2024 | | 2024 |
| Controlling cooperative magnetism in organic radical systems: structure/property correlations in crystalline verdazyl radicals C Doerenkamp, S Eusterwiemann, T Dresselhaus, A Massolle, O Janka, ... Program Book, 2017 | | 2017 |
