Publications
- 2023
- Published
Vibrational Embedding Theory
Hellmers, J. I. & König, C., 14 Sept 2023, In: Journal of Chemical Physics. 159, 10, 104108.Research output: Contribution to journal › Article › Research › peer review
- Published
Binding of a Pyrene-based Fluorescent Amyloid Ligand to Transthyretin: A Combined Crystallographic and Molecular Dynamics Study
Nguyen, T. M. N., Begum, A., Zhang, J., Leira, P., Todarwal, Y., Linares, M., Norman, P., Derbyshire, D., von Castelmur, E., Lindgren, M., Hammarström, P. & König, C., 3 Aug 2023, In: The Journal of Physical Chemistry Part B: Biophysics, Biomaterials, Liquids, Soft Matter. 127, 30, p. 6628–6635 8 p.Research output: Contribution to journal › Article › Research › peer review
- Published
Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra
Jansen, M., Reinholdt, P., Hedegård, E. D. & König, C., 13 Jul 2023, In: The Journal of Physical Chemistry A. 127, 27, p. 5689-5703 15 p.Research output: Contribution to journal › Article › Research › peer review
- Published
Modeling of metal-organic frameworks for optical applications
Treger, M., 2023, Hannover. 103 p.Research output: Thesis › Doctoral thesis
- Published
Subsystem-Based Methods for Global and Local Optical Properties
Jansen, M., 2023, Hannover.Research output: Thesis › Doctoral thesis
- 2022
- Published
Fragmentation-Based Decomposition of a Metalloenzyme–Substrate Interaction: A Case Study for a Lytic Polysaccharide Monooxygenase
Hellmers, J., Hedegård, E. D. & König, C., 28 Jul 2022, In: The Journal of Physical Chemistry B. 126, 29, p. 5400-5412 13 p.Research output: Contribution to journal › Article › Research › peer review
- Published
Tailored anharmonic–harmonic vibrational profiles for fluorescent biomarkers
Nguyen, T. M. N. & König, C., 13 Jun 2022, In: Physical Chemistry Chemical Physics. 24, 24, p. 14825-14835 11 p.Research output: Contribution to journal › Article › Research › peer review
- Published
Quantum-derived embedding schemes for local excitations
Jansen, M., Nguyen, T. M. N., Hedegård, E. D. & König, C., 2022, A Specialist Periodical Report : Chemical Modelling. Bahmann, H. & Tremblay, J. C. (eds.). Vol. 17. (SPR - Chemical Modelling; vol. 17).Research output: Chapter in book/report/conference proceeding › Contribution to book/anthology › Research › peer review
- 2021
- Published
A unified and flexible formulation of molecular fragmentation schemes
Hellmers, J. & König, C., 25 Oct 2021, In: The journal of chemical physics. 155, 16, 164105.Research output: Contribution to journal › Article › Research › peer review