The energy decomposition analysis (EDA) is a powerful method for a quantitative
interpretation of chemical bonds in terms of three major components. The instantaneous …

The aim of this review is threefold. On the one hand, we intend it to serve as a gentle
introduction to the Interacting Quantum Atoms (IQA) methodology for those unfamiliar with it …

We describe the development and features of a program called IGMPlot, which is based on
the independent gradient model (IGM) and its local descriptor δ g. The IGM approach …

Ab initio quantum chemistry is an independent source of information supplying an ever
widening group of experimental chemists. However, bridging the gap between these ab …

This research focuses on the synthesis and detailed analysis of novel compounds
encompassing Fe (III)(C1) and Co (II)(C2) ions, featuring 4-(2-oxo-1, 2-dihydro-3H-indol-3 …

About half a century after its little-known beginnings, the quantum topological approach
called QTAIM has grown into a widespread, but still not mainstream, methodology of …

Today's quantum chemistry methods are extremely powerful but rely upon complex
quantities such as the massively multidimensional wavefunction or even the simpler electron …

In this perspective, we review some recent advances in the concept of atoms-in-molecules
from a real space perspective. We first introduce the general formalism of atomic weight …

Recent discovery of an unusual bond between Na and B in NaBH3− motivated us to look for
potentially similar bonds, which remained unnoticed among systems isoelectronic with …

Noncovalent interactions (NCIs) play a major role in essentially all fields of chemical
research. Energy decomposition analysis (EDA) schemes provide in‐depth insights into …