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. 2024. Epub 2024. doi: 10.26434/chemrxiv-2024-1nkq0

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