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 …

The quantum topological energy partitioning method Interacting Quantum Atoms (IQA) has
been applied for over a decade resulting in an enlightening analysis of a variety of systems …

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 …

The development of post-Hartree–Fock (post-HF) energy decomposition schemes that are
able to decompose the HF and correlation components of the interaction energy into …

Deviation of sodium and potassium concentrations from their optimal values in living
organisms is associated with severe health conditions, thus their precise determination in …

We introduce the fragment‐pairwise Local Energy Decomposition (fp‐LED) scheme for
precise quantification of individual interactions contributing to the binding energy of arbitrary …

Energy profiles of seven halogen-bonded complexes were analysed with the topological
energy partitioning called Interacting Quantum Atoms (IQA) at MP4 (SDQ)/6–31+ G (2d, 2p) …

FFLUX is a biomolecular force field under construction, based on Quantum Chemical
Topology (QCT) and machine learning (kriging), with a minimalistic and physically motivated …

We describe an efficient implementation of the partition of the second‐order Møller–Plesset
(MP2) correlation energy within the interacting quantum atoms (IQA) energy decomposition …

A crucial step in the formation of mono-aminoboranes (R2N–BH2) from the corresponding
imine–BH3 adducts, under mild reaction conditions, is the 1, 3-hydride shift. We offer …