Aromaticity cannot be measured directly by any physical or chemical experiment because it
is not a well-defined magnitude. Its quantification is done indirectly from the measure of …

Electronic delocalization is invoked in many textbooks as the driving force of several
fundamental phenomena such as conjugation, hyperconjugation, and aromaticity. These …

A method of description of the chemical bonding combining the compactness and intuitive
simplicity of Lewis theory with the flexibility and generality of canonical molecular orbital …

In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to
chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing …

In this study the recently developed electron density of delocalized bonds (EDDB) is used to
define a new measure of aromaticity in molecular rings. The relationships between bond …

Aromaticity is a central chemical concept widely used in modern chemistry for the
interpretation of molecular structure, stability, reactivity, and magnetic properties of many …

The newly developed adaptive natural density partitioning (AdNDP) method has been
applied to a series of organic aromatic mono-and polycyclic molecules, including …

We introduce a new electronic aromaticity index, AV1245, consisting of an average of the 4-
center multicenter indices (MCI) along the ring that keeps a positional relationship of 1, 2, 4 …

A novel method for investigating the multicenter bonding patterns in molecular systems by
means of the so-called Electron Density of Delocalized Bonds (EDDB) is introduced and …

The role of aromaticity in porphyrinoids is a current subject of debate due to the intricate
structure of these macrocycles, which can adopt Hückel, Möbius and even figure-eight …