We present a group contribution method (SoluteGC) and a machine learning model (SoluteML) to predict the Abraham solute parameters, as well as a machine learning model (DirectML) to predict solvation…
Ab initio molecular dynamics (AIMD) has become one of the most popular and robust approaches for modeling complicated chemical, liquid, and material systems. However, the formidable computational cost often limits…
The modification of cyclopentadienyl ligands with carefully selected substituents is a widely used strategy to tune their steric and electronic properties. We describe the synthesis of an extremely bulky penta-terphenyl…
The development of nanomaterials often relies on wet-chemical syntheses performed in reflux-setups using round-bottom-flasks. An alternative approach to synthesize nanomaterials is here presented that uses glass tubes designed for NMR…
A new, twelve-step approach towards the mero_x0002_terpenoid cochlearol B is reported. This strategy takes advantage ofa palladium-catalyzed Catellani reaction of a complex chromenyl triflate and a subsequent visible light-mediated -cycloaddition…