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 …

The paper collects the answers of the authors to the following questions: Is the lack of
precision in the definition of many chemical concepts one of the reasons for the coexistence …

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 …

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 …

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 …

Aromaticity is a property usually linked to the ground state of stable molecules. Although it is
well-known that certain excited states are unquestionably aromatic, the aromaticity of excited …

In this article, we address the role of the long‐range exchange corrections in description of
the cyclic delocalization of electrons in aromatic systems at the density functional theory …

In this work the relationship between the formal number of π‐electrons, d‐orbital conjugation
topology, π‐electron delocalization and aromaticity in d‐block metallacycles is investigated …

A new, more flexible definition of fuzzy Voronoi cells is proposed as a computationally
efficient alternative to Bader's Quantum Theory of Atoms in Molecules (QTAIM) partitioning of …

The Clar aromatic sextet theory can provide a qualitative description of the dominant modes
of cyclic π-electron conjugation in benzenoid molecules and of the relative stability among a …