| Toward a fully automated calculation of rovibrational infrared intensities for semi-rigid polyatomic molecules S Erfort, M Tschöpe, G Rauhut The Journal of Chemical Physics 152 (24), 2020 | 36 | 2020 |
| Invariant manifolds and rate constants in driven chemical reactions M Feldmaier, P Schraft, R Bardakcioglu, J Reiff, M Lober, M Tschöpe, ... The Journal of Physical Chemistry B 123 (9), 2070-2086, 2019 | 36 | 2019 |
| High-level rovibrational calculations on ketenimine M Tschöpe, B Schröder, S Erfort, G Rauhut Frontiers in Chemistry 8, 623641, 2021 | 15 | 2021 |
| Ab initio calculation of rovibrational states for non-degenerate double-well potentials: cis–trans isomerization of HOPO S Erfort, M Tschöpe, G Rauhut, X Zeng, DP Tew The Journal of Chemical Physics 152 (17), 2020 | 14 | 2020 |
| Neural network approach for the dynamics on the normally hyperbolic invariant manifold of periodically driven systems M Tschöpe, M Feldmaier, J Main, R Hernandez Physical Review E 101 (2), 022219, 2020 | 14 | 2020 |
| Efficient and automated quantum chemical calculation of rovibrational nonresonant Raman spectra S Erfort, M Tschöpe, G Rauhut The Journal of Chemical Physics 156 (12), 2022 | 10 | 2022 |
| Convergence of series expansions in rovibrational configuration interaction (RVCI) calculations M Tschöpe, G Rauhut The Journal of Chemical Physics 157 (23), 2022 | 7 | 2022 |
| 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 | 7 | 2022 |
| A theoretical study of propynal under interstellar conditions and beyond, covering low-frequency infrared spectra, spectroscopic constants, and hot bands M Tschöpe, G Rauhut Monthly Notices of the Royal Astronomical Society 520 (3), 3345-3354, 2023 | 5 | 2023 |
| Application of neural networks to determine the transition state trajectory in periodically driven systems with two or more degrees of freedom M Tschöpe | 4 | 2018 |
| Spectroscopic Characterization of Diazophosphane—A Candidate for Astrophysical Observations M Tschöpe, G Rauhut The Astrophysical Journal 949 (1), 1, 2023 | 2 | 2023 |
| Thioformyl cyanide, HC (S) CN, revisited: accurate rovibrational simulations for a molecule observed in interstellar clouds S Das, M Tschöpe, G Rauhut Molecular Physics, e2262059, 2023 | | 2023 |
| Extension of a VCI program for the calculation of rovibrational intensities M Tschöpe Institut of Computational Chemistry, 2023 | | 2023 |
| Efficient and automated ab initito calculation of rovibrational infrarad spectra for medium sized molecules M Tschöpe Bulletin of the American Astronomical Society 54 (5), 102.159, 2022 | | 2022 |
| Dynamics and Phase Space Structure for Reactions with Multiple Saddles J Reiff, R Bardakcioglu, M Tschöpe, M Feldmaier, J Main, G Wunner | | |
Sebastian ErfortPhD Student, Institute for Theoretical Chemistry, University of Stuttgart在 theochem.uni-stuttgart.de 的电子邮件经过验证
