The definition of the van der Waals crust as the spherical section between the atomic radius
and the van der Waals radius of an element is discussed and a survey of the application of …

This perspective focuses on the crucial role that energy decomposition schemes play in
elucidating the physical nature of non-covalent interactions in supramolecular systems …

The in forms of molecular iron maidens are known for their unique ultrashort interaction
between the apical hydrogen atom or its small substituent and the surface of the benzene …

Experimental and theoretical studies over the recent years have shown that noncovalent
interactions play a crucial role in diverse chemical and biological processes. Noncovalent …

Janusene is a symmetrical molecule that contains four benzene rings, with two of them
forced to be in a vertical quasi-parallel face-to-face alignment. The unique physical nature of …

Molecular recognition is the key driver in the formation of supramolecular complexes,
enabling the selective encapsulation of specific guests. Here, we explore the delicate …

A short review of reviews and an overview of selected, interesting novel macroheterocycles
are presented.

Using DFT-based computational tools, the capabilities of [23](1, 3, 5) cyclophanes and their
analogs, containing 1, 3, 5-triazine and 1, 3, 5-triphosphinine rings, to recognize anions …

In this work we present a detailed analysis of selected reaction schemes in terms of the
atomic components of the electronic energy defined by the quantum theory of atoms in …