Transition metal catalysis is of utmost importance for the development of sustainable
processes in academia and industry. The activity and selectivity of metal complexes are …

Hydrogen bonds are a complex interplay between different energy components, and their
nature is still subject of an ongoing debate. In this minireview, we therefore provide an …

Hydrogen bonding principles are at the core of supramolecular design. This overview
features a discussion relating molecular structure to hydrogen bond strengths, highlighting …

The amino groups of thio‐and selenoamides can act as stronger hydrogen‐bond donors
than of carboxamides, despite the lower electronegativity of S and Se. This phenomenon …

The symmetry‐decomposed Voronoi deformation density (VDD) charge analysis is an
insightful and robust computational tool to aid the understanding of chemical bonding …

Cocrystallization is an old technique and remains the focus of several research groups
working in the field of Chemistry and Pharmacy. This technique is basically in field for …

The secondary electrostatic interaction (SEI) model is often used to predict and explain
relative hydrogen bond strengths of self-assembled systems. The SEI model oversimplifies …

The alkali metal ion affinity of guanine quadruplexes has been studied using dispersion-
corrected density functional theory (DFT-D). We have done computational investigations in …

Resonance Assisted Hydrogen Bonds (RAHBs) are particularly strong H-Bonds (HBs) which
are relevant in several fields of chemistry. The traditional explanation for the occurrence of …

The nature of resonance-assisted hydrogen bonds (RAHB) is still subject of an ongoing
debate. We therefore analyzed the σ and π charge redistributions associated with the …