A gas‐phase nitrogen–nitrogen noncovalent interaction has been unveiled in the
nitroethane–trimethylamine complex in an environment free from solvent and matrix effects …

By combining rotational spectroscopy in supersonic expansion with the capability of state‐of‐
the‐art quantum‐chemical computations in accurately determining structural and energetic …

The virtual‐reality framework AVATAR (Advanced Virtual Approach to Topological Analysis
of Reactivity) for the immersive exploration of potential‐energy landscapes is presented …

Metal‐ligand interactions are at the heart of transition metal complexes. The Dewar‐Chat‐
Duncanson model is often invoked, whereby the metal‐ligand bonding is decomposed into …

When carbonyl ligands coordinate to transition metals, their bond distance either increases
(classical) or decreases (nonclassical) with respect to the bond length in the isolated CO …

An integrated environment for the analysis of chemical bonding based on immersive virtual
reality is presented. Using a multiscreen stereoscopic projection system, researchers are …

A comparison between the two most common reduction approaches for obtaining chiral
amines, asymmetric hydrogenation (AH) versus asymmetric transfer hydrogenation (ATH) …

Is it possible to convert highly specialized research in the field of computational
spectroscopy into robust and user-friendly aids to experiments and industrial applications …

Circular dichroism spectra in the IR range (VCD= vibrational circular dichroism) and in the
UV range (ECD= electronic circular dichroism) have been recorded for both enantiomers of …

Diphosphines are highly versatile ancillary ligands in coordination chemistry and catalysis
because their structures and donor–acceptor properties can vary widely depending on the …