| Effects of dynamical degrees of freedom on magnetic compass sensitivity: a comparison of plant and avian cryptochromes G Grüning, SY Wong, L Gerhards, F Schuhmann, DR Kattnig, PJ Hore, ... Journal of the American Chemical Society 144 (50), 22902-22914, 2022 | 10 | 2022 |
| Theoretical investigation of CH-bond activation by photocatalytic excited SO 2 and the effects of C-, N-, S-, and Se-doped TiO 2 L Gerhards, T Klüner Physical Chemistry Chemical Physics 24 (4), 2051-2069, 2022 | 8 | 2022 |
| Spin dynamics of flavoproteins J Matysik, L Gerhards, T Theiss, L Timmermann, P Kurle-Tucholski, ... International Journal of Molecular Sciences 24 (9), 8218, 2023 | 7 | 2023 |
| Electronic Transitions in Different Redox States of Trinuclear 5, 6, 11, 12, 17, 18‐Hexaazatrinaphthylene‐Bridged Titanium Complexes: Spectroelectrochemistry and Quantum Chemistry A Markovic, L Gerhards, P Sander, C Dosche, T Klüner, R Beckhaus, ... ChemPhysChem 21 (22), 2506-2514, 2020 | 6 | 2020 |
| Modeling spin relaxation in complex radical systems using MolSpin L Gerhards, C Nielsen, DR Kattnig, PJ Hore, IA Solov'yov Journal of Computational Chemistry 44 (19), 1704-1714, 2023 | 5 | 2023 |
| The same, but different, but still the same: structural and dynamical differences of neutrophil elastase and cathepsin G F Schuhmann, X Tan, L Gerhards, HN Bordallo, IA Solov’yov The European Physical Journal D 76 (7), 126, 2022 | 4 | 2022 |
| Peculiar Differences between Two Copper Complexes Containing Similar Redox-Active Ligands: Density Functional and Multiconfigurational Calculations L Gerhards, M Werr, O Hübner, IA Solov’yov, HJ Himmel Inorganic Chemistry 63 (2), 961-975, 2023 | 3 | 2023 |
| Across atoms to crossing continents: Application of similarity measures to biological location data F Schuhmann, L Ryvkin, JD McLaren, L Gerhards, IA Solov’yov Plos one 18 (5), e0284736, 2023 | 3 | 2023 |
| Biologically active drimane derivatives isolated from submerged cultures of the wood-inhabiting basidiomycete Dentipellis fragilis N Mitschke, WC Sum, K Hassan, M Kirchenwitz, H Schrey, L Gerhards, ... RSC advances 13 (37), 25752-25761, 2023 | 3 | 2023 |
| Studying folding unfolding dynamics of solvated alanine polypeptides using molecular dynamics J Hungerland, A Frederiksen, L Gerhards, IA Solov’yov The European Physical Journal D 76 (8), 154, 2022 | 3 | 2022 |
| Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO2 L Gerhards, T Klüner The Journal of Physical Chemistry C 125 (24), 13313-13323, 2021 | 3 | 2021 |
| Multidentate Interaction of Methylamine with Rutile TiO2 (110) L Mohrhusen, L Gerhards, D Hirsch, T Klüner, K Al-Shamery The Journal of Physical Chemistry C 125 (22), 11975-11986, 2021 | 3 | 2021 |
| How do Antimicrobial Peptides Interact with the Outer Membrane of Gram-Negative Bacteria? Role of Lipopolysaccharides in Peptide Binding, Anchoring, and Penetration JC Stephani, L Gerhards, B Khairalla, IA Solov’yov, I Brand ACS Infectious Diseases 10 (2), 763-778, 2024 | 2 | 2024 |
| Density Functional Theory Calculations for Multiple Conformers Explaining the Regio‐and Stereoselectivity of Ti‐Catalyzed Hydroaminoalkylation Reactions N Thoben, T Kaper, S de Graaff, L Gerhards, M Schmidtmann, T Klüner, ... ChemPhysChem 24 (17), e202300370, 2023 | 2 | 2023 |
| Structural Flexibility Slows Down Charge Transfers in Diaminoterephthalate-C60 Dyads D Timmer, G Hergert, L Gerhards, DC Lünemann, N Schröder, ... The Journal of Physical Chemistry C 128 (6), 2380-2391, 2024 | 1 | 2024 |
| Introducing the Automated Ligand Searcher L Jacobsen, J Hungerland, V Bačić, L Gerhards, F Schuhmann, ... Journal of Chemical Information and Modeling 63 (23), 7518-7528, 2023 | 1 | 2023 |
| Charge-Transfer Promoted Fixation of Glyphosate on TiO2-a Multiscale Approach F Balzaretti, M von Einem, L Gerhards, W Dononelli, T Stauch, T Klüner, ... | 1 | 2021 |
| Importance of Polarizable Embedding for Absorption Spectrum Calculations of Arabidopsis thaliana Cryptochrome 1 A Frederiksen, L Gerhards, P Reinholdt, J Kongsted, IA Solov’yov The Journal of Physical Chemistry B, 2024 | | 2024 |
| Condensed Matter Systems Exposed to Radiation: Multiscale Theory, Simulations, and Experiment AV Solov’yov, AV Verkhovtsev, NJ Mason, RA Amos, I Bald, ... Chemical reviews, 2024 | | 2024 |
| The Effect of Spin Relaxation on Magnetic Compass Sensitivity in ErCry4a G Grüning, L Gerhards, SY Wong, D Kattnig, I Solov'yov Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry …, 2024 | | 2024 |
