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 …

We present an interacting quantum atoms (IQA) study of the gauche effect by comparing 1, 2-
difluoroethane, 1, 2-dichloroethane, and three conformers of 1, 2, 3, 4, 5, 6 …

Much chemical insight ultimately comes down to finding out which fragment of a total system
behaves like the total system, in terms of an energy profile. A simple example is that of the …

The interaction energies of nine XH··· π (X= C, N, and O) benzene-containing van der Waals
complexes were analyzed, at the atomic and fragment levels, using QTAIM multipolar …

The Interacting Quantum Atoms (IQA) method is used to analyze the correlated part of the
Møller–Plesset (MP) perturbation theory two-particle density matrix. Such an analysis …

The reaction mechanism in an active site is of the utmost importance when trying to
understand the role that an enzyme plays in biological processes. In a recently published …

We present an innovative method for predicting the dynamic electron correlation energy of
an atom or a bond in a molecule utilizing topological atoms. Our approach uses the machine …

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 …