The accurate description of long-range electron correlation, most prominently including van
der Waals (vdW) dispersion interactions, represents a particularly challenging task in the …

Conspectus Quantum chemical methods are nowadays able to determine properties of
larger chemical systems with high accuracy and Kohn–Sham density functional theory (DFT) …

Understanding chemical reactivity through the use of state-of-the-art computational
techniques enables chemists to both predict reactivity and rationally design novel reactions …

We present a comprehensive experimental study of a di-t-butyl-substituted cyclooctatetraene-
based molecular balance to measure the effect of 16 different solvents on the equilibrium of …

Catalytic transformations of α-amino C–H bonds to afford valuable enantiomerically
enriched α-substituted amines, entities that are prevalent in pharmaceuticals and bioactive …

Since its discovery in 1938, hydroformylation has been thoroughly investigated and broadly
applied in industry (> 107 metric ton yearly). However, the ability to precisely control its …

London dispersion (LD) interactions are the main contribution of the attractive part of the van
der Waals potential. Even though LD effects are the driving force for molecular aggregation …

Conspectus Homogeneous catalysis and biocatalysis have been widely applied in synthetic,
medicinal, and energy chemistry as well as synthetic biology. Driven by developments of …

We present an experimental and computational study on the conformers of N, N′‐
diphenylthiourea substituted with different dispersion energy donor (DED) groups. While the …

London dispersion (LD) is attracting more and more attention in catalysis since LD is
ubiquitously present and cumulative. Since dispersion is hard to grasp, recent research has …