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Prof. Dr.  Carolin König

https://orcid.org/0000-0001-8931-4337
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Publications

  1. 2024

  2. Published

    Tailored anharmonic potential energy surfaces for infrared signatures

    Hellmers, J. I., Czember, P. & König, C., 28 Dec 2024, In: Physical Chemistry Chemical Physics. 26, 48, p. 29732–29748 17 p.

    Research output: Contribution to journal › Article › Research › peer review

  3. Published

    The role of microenvironments on computed vibrationally-resolved emission spectra: The case of oxazines

    Nguyen Thi Minh, N. & König, C., 8 Aug 2024, In: Journal of computational chemistry. 45, 26, p. 2232-2241 10 p.

    Research output: Contribution to journal › Article › Research › peer review

  4. 2023

  5. 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

  6. 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

  7. 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

  8. Published

    Fragment-based approach for the efficient calculation of the refractive index of metal-organic frameworks

    Treger, M., König, C., Behrens, P. & Schneider, A., 2023, In: Physical Chemistry Chemical Physics. 25, 28, p. 19013–19023 11 p.

    Research output: Contribution to journal › Article › Research › peer review

  9. 2022

  10. 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

  11. 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

  12. 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

  13. 2021

  14. Published

    Tau Protein Binding Modes in Alzheimer’s Disease for Cationic Luminescent Ligands

    Todarwal, Y., Gustafsson, C., Nguyen Thi Minh, N., Ertzgaard, I., Klingstedt, T., Ghetti, B., Vidal, R., König, C., Lindgren, M., Nilsson, K. P. R., Linares, M. & Norman, P., 28 Oct 2021, In: The Journal of Physical Chemistry B. 125, 42, p. 11628–11636 9 p.

    Research output: Contribution to journal › Article › Research › peer review

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