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 …

Currently, bonding analysis of molecules based on the Quantum Theory of Atoms in
Molecules (QTAIM) is popular; however,“misinterpretations” of the QTAIM analysis are also …

In this frank and thought-provoking account, quantum chemical topology (QCT) is explained
to the novice, leading up highlights of QCT's most recent findings and views. The difference …

The molecular structure can be defined quantum mechanically thanks to the theory of atoms
in molecules. Here, we report a new molecular model that reflects quantum mechanical …

Summary Quantum Theory of Atoms in Molecule (QTAIM) started off as a theory of energy
partitioning, interpreting a chemical bond as a result of mononuclear parts interacting with …

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 …

The general formalism of an extended quantum theory of atoms in molecules (QTAIM)
dealing with the multi-component quantum systems, composed of various types of quantum …

The hydrogen bond (H‐bond) is among the most important noncovalent interaction (NCI) for
bioorganic compounds. However, no “energy border” has yet been identified to distinguish it …

In this essay-like review two different aspects of the “Quantum Chemical Topology”(QCT)
approach are critically discussed at great length. One is the ability to compute bonding …

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