Publications by authors named "Jonas Oldenstaedt"
J Chem Phys
November 2022
Article Synopsis
- To enhance the exploration of chemical compounds, researchers need to focus on finding the most informative and valuable compounds, especially in the area of lower-symmetry mononuclear octahedral transition metal complexes.
- A study of around 1000 Fe(II) complexes reveals a much larger theoretical space (∼816k) for accessible complexes, emphasizing the effectiveness of ligand combinations and the concept of ligand additivity for predicting properties.
- The team proposes a multi-step strategy to identify promising complexes within this larger space, successfully validating their method with nine new complexes that show potential for efficient discovery in targeted property regions.
