Benzene is the emblematic example of an aromatic molecule, and the problem of its
structure has given rise to a chemical serial story running over several decades. The …

Electron-pair bonding is a central chemical paradigm. Here, we show that alongside the two
classical covalent and ionic bond families, there exists a class of charge-shift (CS) bonds …

Abstract Analysis of the chemical bonding in the position space, instead of or besides that in
the wave function (Hilbert) orbital space, has become increasingly popular for crystalline …

The visualization of covalent interactions has been a common practice in theoretical
chemistry thanks to the electron localization function (ELF). More recently, the reduced …

The concept of multicenter bond is paradoxically counter intuitive in chemistry because most
of chemistry and molecular physics is thought in terms of two body interactions. Moreover …

An interpretation of the reduced density gradient in terms of the bosonic kinetic energy
density is presented. Contrary to other bonding indicators based on the kinetic energy …

Charge‐shift bonds (CSBs) constitute a new class of bonds different than covalent/polar‐
covalent and ionic bonds. Bonding in CSBs does not arise from either the covalent or the …

This paper deals with a central paradigm of chemistry, the electron‐pair bond. Valence bond
(VB) theory and electron‐localization function (ELF) calculations of 21 single bonds …

The topological analysis of the electron localization function ELF provides a partition of the
molecular space into basins of attractors which have a clear chemical signification. The …

The bonding in a large number of hypervalent molecules of P, As, S, Se, Te, Cl, and Br with
the ligands F, Cl, O, CH3, and CH2 has been studied using the topological analysis of the …