We introduce in this work a unique parameter for the quantitative assessment of the intrinsic
strength of the π interaction between two monomers forming a complex. The new parameter …

The local vibrational mode analysis, originally introduced by Konkoli and Cremer, provides a
physically sound platform for a comprehensive analysis of calculated or measured …

The field of organometallic chemistry has tremendously grown over the past decades and
become an integral part of many areas of chemistry and beyond. Organometallic …

The concepts of bond strength and bond order are at the very heart of chemistry.
Nevertheless, the study of local mechanical bond strengths in large polyatomic molecules is …

We discuss the physical criteria that have been proposed as a measure of the strength of a
chemical bond. Critical examination of the strengths and weaknesses of the various …

Multivalent biomolecular interactions allow for a balanced interplay of mechanical stability
and malleability, and nature makes widely use of it. For instance, systems of similar thermal …

Local stretching modes for 69 different DH single bonds and 58 H··· AH‐bonds are
calculated at the ωB97X‐D/aug‐cc‐pVTZ level of theory to describe the changes in donor D …

Corrective scale factors for computed harmonic C O vibrational frequencies for 31
organometallic complexes have been determined at the HF and B3LYP levels. The …

The interactions of the first-row hydrides (NH3, H2O, HF) with ethene have been
investigated by carrying out calculations, at the second order Møller–Plesset (MP2) level of …

Recently, a new type of non‐covalent interaction, the B− H⋅⋅⋅ π interaction, was
introduced. Nevertheless, the unique determination of individual, non‐covalent bond …