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 …

Aromaticity is one of the most widely applied concepts within chemistry. It plays a major role
in the rationalization of a range of chemical properties in the electronic ground state, despite …

The combination of (AlCp*) 4, a source of monomeric: AlCp* at elevated temperatures, with
DipTerPnPMe3 (Pn= P, As), so-called pnicta-Wittig reagents, at 80° C cleanly gives the …

Conspectus Aromaticity, one of the most fundamental concepts in chemistry, has attracted
considerable attention from both theoreticians and experimentalists. Much effort on …

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 …

Within the context of reactivity descriptors known in conceptual DFT, the linear response
function (χ (r, r′)) remained nearly unexploited. Although well known, in its time dependent …

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 …

Excited-state aromaticity (ESA) and antiaromaticity (ESAA) are by now well-established
concepts for explaining photophysical properties and photochemical reactivities of cyclic …

We describe joint experimental and theoretical studies carried out collaboratively in the
authors' labs for understanding the structures and chemical bonding of novel atomic …

The chemistry of actinides has flourished since the late 2010s with the synthesis of new
actinide complexes and clusters. On the theoretical side, a range of tools is available for the …