While a complete understanding of organic semiconductor (OSC) design principles remains
elusive, computational methods─ ranging from techniques based in classical and quantum …

Organic molecular semiconductors have been paid great attention due to their advantages
of low-temperature processability, low fabrication cost, good flexibility, and excellent …

Organic diradicaloids have unique open-shell structures and properties and promising
applications in organic electronics and spintronics. Incorporation of heteroatoms is an …

Sterically hindered C═ C double bonds often deform into a bent or twisted geometry. Thus,
many overcrowded ethylenes or anthraquinodimethanes can adopt multiple conformations …

The zinc oxide (ZnO) nanoparticles (NPs) are well‐documented as an excellent electron
transport layer (ETL) in optoelectronic devices. However, the intrinsic surface flaw of the ZnO …

Molecular nanocarbons containing heptagonal rings have attracted increasing interest due
to their dynamic behavior, electronic properties, aromaticity, and solid‐state packing …

Abstract Azulene 1, pentalene 2, and heptalene 3 are classical nonalternant hydrocarbons.
Their fascinating π-frameworks, consecutive arrangements of odd-membered carbocycles …

Bis-periazulene (cyclohepta [def] fluorene), which is an unknown pyrene isomer, was
synthesized as kinetically protected forms. Its triaryl derivatives 1c–e exhibited the …

Organic molecules with unpaired electrons are intriguing for advanced applications in
molecular electronics, spintronics and organic batteries, as well as other possible …

Whether tetra‐tert‐butyl‐s‐indacene is a symmetric D2h structure or a bond‐alternating C2h
structure remains a standing puzzle. Close agreement between experimental and computed …