Recently, Baird (anti) aromaticity has been referred to as a description of excited-state (anti)
aromaticity. With the term of Baird's rule, recent studies have intensively verified that the …

Gain of aromaticity or relief of antiaromaticity along a reaction path are important factors to
consider in mechanism studies. Analysis of such changes along potential energy surfaces …

The antiaromatic character of benzene in its first ππ* excited triplet state (T1) was deduced
more than four decades ago by Baird using perturbation molecular orbital (PMO) theory [J …

Photochromic conducting molecules have emerged because of their unique capacity to
modulate electrical conductivity upon exposure to light, toggling between high and low …

Conspectus Aromaticity, the special energetic stability derived from cyclic [4 n+ 2] π-
conjugated electronic structures, has been the topic of intense interest in chemistry because …

Developing norbornadiene–quadricyclane (NBD–QC) systems for molecular solar-thermal
(MOST) energy storage is often a process of trial and error. By studying a series of …

Single-molecule non-volatile memories can be designed as high-density memories and
memristors. The latter, enabling real-time data processing by performing computations …

Expanded porphyrins are flexible enough to switch between different π-conjugation
topologies, namely Möbius, Hückel and twisted-Hückel, each with distinct electronic …

Density functional theory calculations have been performed to explore the substituent effect
on benzene's structure and aromaticity upon excitation to the first triplet excited state (T1) …

Destructive quantum interference in aromatic hydrocarbons can be tuned using chemical
substituents; however, classical chemical intuition is not enough to explain the effects on …