With the goal of improving previously reported Mn bipyridine electrocatalysts in terms of increased activity and reduced overpotential, a bulky bipyridine ligand, 6,6′-dimesityl-2,2′-bipyridine (mesbp
The application of modern machine learning to challenges in atomistic simulation is gaining attraction. We present new machine learning models that can predict the energy of the oxidative addition pro
Understanding the thermodynamics of paramagnetic transition metal hydride complexes, especially of the abundant 3d metals, is important in the design of electrocatalysts and organometallic catalysts.
D2-symmetric dirhodium(II) carboxylate catalysts that bear axially chiral binaphthothiophene δ-amino acid derivatives have been developed. Conformational control is supported through chalcogen-bondin
Converting CO2 to methanol is a one of the most promising process to recycle CO2. However, the selectivity and the yield to methanol of this process are low. To maximize turnover per metal site, we de
