| Coordination nanosheets based on terpyridine–zinc (II) complexes: as photoactive host materials T Tsukamoto, K Takada, R Sakamoto, R Matsuoka, R Toyoda, H Maeda, ... Journal of the American Chemical Society 139 (15), 5359-5366, 2017 | 107 | 2017 |
| A concise review on recent developments of machine learning for the prediction of vibrational spectra R Han, R Ketkaew, S Luber The Journal of Physical Chemistry A 126 (6), 801-812, 2022 | 28 | 2022 |
| A machine learning approach for MP2 correlation energies and its application to organic compounds R Han, M Rodriguez-Mayorga, S Luber Journal of chemical theory and computation 17 (2), 777-790, 2021 | 12 | 2021 |
| Investigating the Structure and Dynamics of Apo‐Photosystem II R Han, K Rempfer, M Zhang, H Dobbek, A Zouni, H Dau, S Luber ChemCatChem 11 (16), 4072-4080, 2019 | 8 | 2019 |
| Trajectory-based machine learning method and its application to molecular dynamics R Han, S Luber Molecular Physics 118 (19-20), e1788189, 2020 | 5 | 2020 |
| Complete active space analysis of a reaction pathway: Investigation of the oxygen–oxygen bond formation R Han, S Luber Journal of computational chemistry 41 (17), 1586-1597, 2020 | 5 | 2020 |
| Magnetic Interactions in a [Co(II)3Er(III)(OR)4] Model Cubane through Forefront Multiconfigurational Methods R Han, S Luber, G Li Manni Journal of Chemical Theory and Computation 19 (10), 2811-2826, 2023 | 4 | 2023 |
| Fast Estimation of Møller–Plesset Correlation Energies Based on Atomic Contributions R Han, S Luber The Journal of Physical Chemistry Letters 12 (22), 5324-5331, 2021 | 3 | 2021 |
| Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory R Han, J Mattiat, S Luber Nature Communications 14 (1), 106, 2023 | 1 | 2023 |
| Corrections to “A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds” R Han, M Rodríguez-Mayorga, S Luber Journal of Chemical Theory and Computation 19 (1), 373-373, 2022 | | 2022 |
| A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds (vol 17, pg 777, 2021) R Han, M Rodriguez-Mayorga, S Luber JOURNAL OF CHEMICAL THEORY AND COMPUTATION 19 (1), 373-373, 2021 | | 2021 |
| Advancing computational methods for spectroscopy, catalysis, and design S Luber, R Han, J Mattiat, K Rempfer, M Schilling, T Zimmermann ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Sandra LuberUniversity of ZurichVerified email at chem.uzh.ch
Sandra LuberUniversity of ZurichVerified email at chem.uzh.ch