| Low-barrier hydrogen bonds in enzyme cooperativity S Dai, LM Funk, FR von Pappenheim, V Sautner, M Paulikat, B Schröder, ... Nature 573 (7775), 609-613, 2019 | 80 | 2019 |
| Strong theoretical support for the assignment of B11244 to l-C3H+ P Botschwina, C Stein, P Sebald, B Schröder, R Oswald The Astrophysical Journal 787 (1), 72, 2014 | 32 | 2014 |
| High-level theoretical rovibrational spectroscopy beyond fc-CCSD (T): The C3 molecule B Schröder, P Sebald The Journal of Chemical Physics 144 (4), 2016 | 25 | 2016 |
| Challenging High-Level ab initio Rovibrational Spectroscopy: The Nitrous Oxide Molecule B Schröder, P Sebald, C Stein, O Weser, P Botschwina Zeitschrift für Physikalische Chemie 229 (10-12), 1663-1690, 2015 | 20 | 2015 |
| Strained hydrogen bonding in imidazole trimer: A combined infrared, Raman, and theory study T Forsting, J Zischang, MA Suhm, M Eckhoff, B Schröder, RA Mata Physical Chemistry Chemical Physics 21 (11), 5989-5998, 2019 | 16 | 2019 |
| High-level rovibrational calculations on ketenimine M Tschöpe, B Schröder, S Erfort, G Rauhut Frontiers in Chemistry 8, 623641, 2021 | 15 | 2021 |
| Vibrational configuration interaction theory B Schröder, G Rauhut, JM Bowman Vibrational Dynamics of Molecules, 1-40, 2022 | 13 | 2022 |
| High-dimensional neural network potentials for accurate vibrational frequencies: the formic acid dimer benchmark DS Rasheeda, AM Santa Daría, B Schröder, E Mátyus, J Behler Physical Chemistry Chemical Physics 24 (48), 29381-29392, 2022 | 13 | 2022 |
| High-level theoretical spectroscopic parameters for three ions of astrochemical interest C Stein, O Weser, B Schröder, P Botschwina Molecular Physics 113 (15-16), 2169-2178, 2015 | 13 | 2015 |
| Incremental vibrational configuration interaction theory, iVCI: Implementation and benchmark calculations B Schröder, G Rauhut The Journal of Chemical Physics 154 (12), 2021 | 12 | 2021 |
| Theoretical rovibrational spectroscopy beyond fc-CCSD (T): the cation CNC+ B Schröder, O Weser, P Sebald, P Botschwina Molecular Physics 113 (13-14), 1914-1923, 2015 | 11 | 2015 |
| Rovibrational states of HBF+ isotopologues: Theory and experiment P Botschwina, P Sebald, B Schröder, A Bargholz, K Kawaguchi, T Amano Journal of Molecular Spectroscopy 302, 3-8, 2014 | 10 | 2014 |
| Stretching our understanding of C3: Experimental and theoretical spectroscopy of highly excited nν1+ mν3 states (n≤ 7 and m≤ 3) B Schröder, KD Doney, P Sebald, D Zhao, H Linnartz The Journal of Chemical Physics 149 (1), 2018 | 9 | 2018 |
| The first HyDRA challenge for computational vibrational spectroscopy TL Fischer, M Bödecker, SM Schweer, J Dupont, V Lepère, ... Physical Chemistry Chemical Physics 25 (33), 22089-22102, 2023 | 7 | 2023 |
| Determination of spectroscopic constants from rovibrational configuration interaction calculations DF Dinu, M Tschöpe, B Schröder, KR Liedl, G Rauhut The Journal of Chemical Physics 157 (15), 2022 | 6 | 2022 |
| Theoretical rovibrational spectroscopy of NO2+ P Botschwina, A Bargholz, P Sebald, C Stein, B Schröder, R Oswald Journal of Molecular Spectroscopy 311, 12-18, 2015 | 6 | 2015 |
| Variational rovibrational calculations for tetra atomic linear molecules using Watson’s isomorphic Hamiltonian: II. The B11244 story retold B Schröder, P Sebald Journal of Molecular Spectroscopy 386, 111628, 2022 | 5 | 2022 |
| High-level theoretical rovibrational spectroscopy of HCS+ isotopologues B Schröder, P Sebald Journal of Molecular Spectroscopy 330, 120-129, 2016 | 4 | 2016 |
| Comparison of body definitions for incremental vibrational configuration interaction theory (iVCI) B Schröder, G Rauhut The Journal of Chemical Physics 156 (17), 2022 | 2 | 2022 |
| Variational rovibrational calculations for tetra atomic linear molecules using Watson’s isomorphic Hamiltonian, I: The C8v4 approach B Schröder Journal of Molecular Spectroscopy 385, 111613, 2022 | 2 | 2022 |
