Polycyclic aromatic hydrocarbons (PAHs) undergo transformation reactions with
atmospheric photochemical oxidants, such as hydroxyl radicals (OH•), nitrogen oxides …

An extension of Clar's classical sextet ideas is presented to allow resonance-based weak-
pairing long bonds. As the prototypic illustration, the theory is developed in the context of …

We have designed seven organic diradicals with polyacene couplers to show the effect of
the configuration, aromaticity [estimated with the help of Nucleus Independent Chemical …

The 1-, 2-, and 3-dimensional structures obtained from conjugated rings of carbon atoms are
reviewed. They include finite small and large molecules (benzenoids, collarenes, beltenes …

Sažetak Harary's & Randić's ideas of “forcing” & “freedom” involve subsets of double bonds
of Kekule structure such as to be unique to that Kekule structure. Such forcing sets are …

The triangulenes and their closed-shell ions are a family of polycyclic aromatic
hydrocarbons (PAH) that have possible applications in fields as different as spintronics or …

The BenzAI program can automatically generate benzenoids with defined structural
constraints, like the number of hexagons, the number of carbon and/or hydrogen atoms, the …

The Clar structure of polybenzenoid hydrocarbons (PBHs) have attracted considerable
interest of both theoretical and experimental chemists since it was proposed in the 1950s …

The rudimentary Hückel–London–Pople–McWeeny (HLPM) formalism, which frequently
mimics the predictions of more-sophisticated ab initio approaches, is used to investigate the …

Aromaticity is a multidimensional concept and not a directly observable. These facts have
always stood in the way of developing an appropriate theoretical framework for scaling of …