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Publications
2024
- 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. 29732–29748Research output: Contribution to journal › Article › Research › peer review
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
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
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