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 …

Binding energies of first row diatomics are revisited within the interacting quantum atoms
(IQA) approach. This is a formalism in chemical bonding theory based upon the quantum …

Energy decomposition analysis (EDA) is a well-established approach to dissect the
interaction energy into chemically sound components. Despite the inherent requirement of …

A topological atom is a quantum object with a well-defined intra-atomic energy, which
includes kinetic energy, Coulomb energy, and exchange energy. In the context of …

The interacting quantum atoms (IQA) energy partition has given important insights about
different systems and processes in theoretical chemistry. Given its intrinsic dependence on …

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 …

Widely used chemical concepts like Pauli repulsion or hyperconjugation, and their role in
determining rotation barriers or stereoelectronic effects, are analyzed from the real space …

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 …

An interaction between two atoms, bonded or non-bonded, consists of interatomic
contributions: electrostatic energy, exchange energy and electronic correlation energy …

The interacting quantum atoms approach [IQA, as presented by Blanco et al, J. Chem.
Theory Comput. 1, 1096 (2005)] is applied to standard hydrogen bonded dimers. IQA is an …