2026
Kizakis, M. G. K., Treger, M., Dräger, G., König, C., & Heretsch, P. (2026). Navigating the Landscape of Cycloartanyl Cations: Synthesis of Fortunefuroic Acid I, Parkeol, 25,26,27-Trinor-3α-hydroxy-17,13-friedolanosta-8,12-dien-23-one, and Spirochensilide A. Journal of the American Chemical Society, 148(13), 13912-13920. https://doi.org/10.1021/jacs.5c22292
Rüther, K., Bunge, K., Hilmer, L. M., Hellmers, J. I., & König, C. (2026). Comprehensive Comparison of Molecular Fragmentation Schemes for Proteins. Journal of Chemical Theory and Computation, 22(7), 3282-3304. https://doi.org/10.1021/acs.jctc.5c01949
2025
Dahlke, M., Krysiak, Y., Treger, M., König, C., & Polarz, S. (2025). Accessing Multiple Phases via Thermodynamic or Kinetic Pathways: The Impact of Bivalent Ferrocene Spacers on 2D Hybrid Perovskite Formation. ACS Applied Materials & Interfaces, 17(44), 60997-61006. https://doi.org/10.1021/acsami.5c14485
Denda, N. M., Rohloff, E., Kurth, F., Zhao, L., Johannes, H.-H., König, C., Kowalsky, W., Behrens, P., & Schneider, A. (2025). Molecular Dynamics Simulations of Electric Field Poled Poly(methyl methacrylate) Doped with Tricyanopyrroline Chromophores. Journal of Physical Chemistry, 129(31), 8015-8027. https://doi.org/10.1021/acs.jpcb.5c02832
König, C. (2025). Toward Reliable Computation of Vibrational Signatures of Complex Molecular Systems. Nachrichten aus der Chemie, 73(5), 73-76. https://doi.org/10.1002/nadc.20254148935
Olsen, L., König, C., & Christiansen, O. (2025). A Subsystem Perspective on Vibrational Coupled Cluster Response Theory. The Journal of Physical Chemistry A, 129(37), 8699–8713. https://doi.org/10.1021/acs.jpca.5c03752
2024
Hellmers, J. I., Czember, P., & König, C. (2024). Tailored anharmonic potential energy surfaces for infrared signatures. Physical Chemistry Chemical Physics, 26(48), 29732–29748. https://doi.org/10.1039/d4cp02916j
Nguyen Thi Minh, N., & König, C. (2024). The role of microenvironments on computed vibrationally-resolved emission spectra: The case of oxazines. Journal of computational chemistry, 45(26), 2232-2241. https://doi.org/10.1002/jcc.27385
2023
Hellmers, J. I., & König, C. (2023). Vibrational Embedding Theory. Journal of Chemical Physics, 159(10), Artikel 104108. https://doi.org/10.1063/5.0155983
Jansen, M., Reinholdt, P., Hedegård, E. D., & König, C. (2023). Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra. The Journal of Physical Chemistry A, 127(27), 5689-5703. https://doi.org/10.48550/arXiv.2304.11682, https://doi.org/10.1021/acs.jpca.3c02540
