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 …

Dioxygen binding and activation at metal centers are of major importance in a wide range of
catalytic and biological processes. Metal oxides and dioxygen complexes are potential …

In 1972, within a study of the structure-dependency of total π π-electron energy (EE), it was
shown that EE depends on the sum of squares of the vertex degrees of the molecular graph …

Despite significant advances in the fabrication and applications of graphene-like materials, it
remains a challenge to prepare single-layered metallic materials, which have great potential …

An overview of applications of the recently developed gauge including magnetically induced
current method (GIMIC) is presented. The GIMIC method is used to obtain magnetically …

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 …

This study delves into the magnetic response of core electrons and their influence on the
global magnetic response of planar and three-dimensional systems containing heavy …

The usefulness of aromaticity/antiaromaticity concepts to foresee structural stability patterns
and salient features of the electronic structure of small inorganic and all-metal rings has …

Clusters that mimic elemental atoms in the periodic table are known as superatoms which
open up a new window to design functional materials and catalysts by atomic construction …

Aromaticity is an important concept in chemistry primarily for organic compounds, but it has
been extended to compounds containing transition-metal atoms. Recent findings of …