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Publications

  1. 2024

  2. E-pub ahead of print

    Tailored anharmonic potential energy surfaces for infrared signatures

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

    Research output: Contribution to journalArticleResearchpeer review

  3. 2023

  4. Published

    Vibrational Embedding Theory

    Hellmers, J. I. & König, C., 14 Sept 2023, In: Journal of Chemical Physics. 159, 10, 104108.

    Research output: Contribution to journalArticleResearchpeer review

  5. 2022

  6. 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 journalArticleResearchpeer review

  7. 2021

  8. 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 journalArticleResearchpeer review