| Light-enabled deracemization of cyclopropanes by Al-salen photocatalysis C Onneken, T Morack, J Soika, O Sokolova, N Niemeyer, ... Nature 621 (7980), 753-759, 2023 | 52 | 2023 |
| Inter-subsystem charge-transfer excitations in exact subsystem time-dependent density-functional theory J Tölle, M Böckers, N Niemeyer, J Neugebauer The Journal of chemical physics 151 (17), 2019 | 31 | 2019 |
| 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 | 25 | 2023 |
| Approximate versus exact embedding for chiroptical properties: Reconsidering failures in potential and response N Niemeyer, J Tölle, J Neugebauer Journal of Chemical Theory and Computation 16 (5), 3104-3120, 2020 | 23 | 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 | 16* | 2021 |
| Sterically Allowed H‐type Supramolecular Polymerizations R Manha Veedu, N Niemeyer, N Bäumer, K Kartha Kalathil, ... Angewandte Chemie International Edition 62 (49), e202314211, 2023 | 11 | 2023 |
| Origin invariant electronic circular dichroism in the length dipole gauge without London atomic orbitals N Niemeyer, M Caricato, J Neugebauer The Journal of Chemical Physics 156 (15), 2022 | 10 | 2022 |
| Automated generation of optimized auxiliary basis sets for long-range-corrected TDDFT using the Cholesky decomposition L Hellmann, J Tölle, N Niemeyer, J Neugebauer Journal of Chemical Theory and Computation 18 (5), 2959-2974, 2022 | 7 | 2022 |
| Molecular and supramolecular adaptation by coupled stimuli T Dünnebacke, N Niemeyer, S Baumert, S Hochstädt, L Borsdorf, ... Nature Communications 15 (1), 5695, 2024 | 4 | 2024 |
| Accelerating Analytic-Continuation GW Calculations with a Laplace Transform and Natural Auxiliary Functions J Tölle, N Niemeyer, J Neugebauer Journal of Chemical Theory and Computation 20 (5), 2022-2032, 2024 | 4 | 2024 |
| Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software P Eschenbach, N Niemeyer, J Neugebauer Canadian Journal of Chemistry 101 (9), 641-655, 2023 | 3 | 2023 |
| Triplet Excitation-Energy Transfer Couplings from Subsystem Time-Dependent Density-Functional Theory S Käfer, N Niemeyer, J Tölle, J Neugebauer Journal of Chemical Theory and Computation 20 (6), 2475-2490, 2024 | 2 | 2024 |
| (Supra) molecular adaptation by coupled stimuli T Dünnebacke, N Niemeyer, S Baumert, S Hochstädt, L Borsdorf, ... | 1 | 2023 |
| Laplace-Transform GW J Tölle, N Niemeyer, J Neugebauer arXiv preprint arXiv:2307.04508, 2023 | 1 | 2023 |
| Accelerating Analytic-Continuation GW Calculations with a Laplace Transformation and Natural Auxiliary Functions J Tölle, N Niemeyer, J Neugebauer arXiv preprint arXiv:2307.04508, 2023 | | 2023 |
