Johannes Neugebauer, Prof. Dr.
Affiliations: | Organic Chemistry Institute | University Münster |
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"Johannes Neugebauer"
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Publications
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| Baerends EJ, Aguirre NF, Austin ND, et al. (2025) The Amsterdam Modeling Suite. The Journal of Chemical Physics. 162 |
| Eschenbach P, Artiukhin DG, Neugebauer J. (2022) Reliable Isotropic Electron-Paramagnetic-Resonance Hyperfine Coupling Constants from the Frozen-Density Embedding Quasi-Diabatization Approach. The Journal of Physical Chemistry. A. 126: 8358-8368 |
| Eschenbach P, Neugebauer J. (2022) Subsystem density-functional theory: A reliable tool for spin-density based properties. The Journal of Chemical Physics. 157: 130902 |
| Niemeyer N, Caricato M, Neugebauer J. (2022) Origin invariant electronic circular dichroism in the length dipole gauge without London atomic orbitals. The Journal of Chemical Physics. 156: 154114 |
| Bensberg M, Türtscher PL, Unsleber JP, et al. (2022) Solvation Free Energies in Subsystem Density Functional Theory. Journal of Chemical Theory and Computation. 18: 723-740 |
| Eschenbach P, Artiukhin DG, Neugebauer J. (2021) Multi-state formulation of the frozen-density embedding quasi-diabatization approach. The Journal of Chemical Physics. 155: 174104 |
| Brandenburg JG, Burke K, Civalleri B, et al. (2020) Challenges for large scale simulation: general discussion. Faraday Discussions |
| Artiukhin DG, Eschenbach P, Neugebauer J. (2020) Computational Investigation of the Spin-Density Asymmetry in Photosynthetic Reaction Center Models from First Principles. The Journal of Physical Chemistry. B. 124: 4873-4888 |
| Tölle J, Böckers M, Neugebauer J. (2019) Exact subsystem time-dependent density-functional theory. The Journal of Chemical Physics. 150: 181101 |
| Böckers M, Neugebauer J. (2018) Excitation energies of embedded open-shell systems: Unrestricted frozen-density-embedding time-dependent density-functional theory. The Journal of Chemical Physics. 149: 074102 |