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 …

This contribution explains how the topological methods of analysis of the electron density
and related functions such as the electron localization function (ELF) and the electron …

The electron localization function (ELF) is an important tool to study electronic structure. In
this article, the concept of electron localization is introduced and the overlap between the …

Publisher Summary Electron localization function (ELF) helps in understanding the empirical
concept of electron localization, specially the pair electron localization in the spirit of Lewis …

Regular article Electron localization function for transition-metal compounds Page 1 Abstract.
The analysis of the electron localization function of molecules and solids needs to involve the …

Chemical bonding is at the very heart of chemistry. Although main-group-element E–E′
bond orders range up to triple bonds, higher formal bond orders are known between …

Endohedral metallofullerenes (EMFs) are able to encapsulate up to four metal atoms. In
EMFs, metal atoms are positively charged because of the electron transfer from the …

The purpose of the topological theory of Chemical Bonding is to provide a mathematical
bridge between chemical concepts, such as bonds and lone pair, and rigorous Quantum …

The Source Function (SF) analysis is applied to a set of saturated [M2 (CO) x, M= Mn, Fe,
Co, Ni, x= 10, 9, 8, 7] and unsaturated [Co2 (CO) x, x= 8–5] binuclear 3d metal carbonyls …