List of Publications Janine Hellmers
Showing results 1 - 4 out of 4
2024
Hellmers JI, Czember P, König C. Tailored anharmonic potential energy surfaces for infrared signatures. Physical Chemistry Chemical Physics. 2024 Dec 28;48:29732–29748. Epub 2024 Nov 25. doi: 10.1039/d4cp02916j
2023
Hellmers JI, König C. Vibrational Embedding Theory. Journal of Chemical Physics. 2023 Sept 14;159(10):104108. Epub 2023 Sept 12. doi: 10.1063/5.0155983
2022
Hellmers J, Hedegård ED, König C. Fragmentation-Based Decomposition of a Metalloenzyme–Substrate Interaction: A Case Study for a Lytic Polysaccharide Monooxygenase. The Journal of Physical Chemistry B. 2022 Jul 28;126(29):5400-5412. Epub 2022 Jul 14. doi: 10.1021/acs.jpcb.2c02883
2021
Hellmers J, König C. A unified and flexible formulation of molecular fragmentation schemes. The journal of chemical physics. 2021 Oct 25;155(16):164105. doi: 10.1063/5.0059598
