The HOMA geometrical aromaticity index is unique. It is simple, based on observable bond distances, and can be defined using experimental or computational bond values. Moreover, its mathematical form ...

Using data-driven techniques for analyzing nonplanarity and “structural aromaticity” allowed for validation of common knowledge in the field as well as discovery of new relations. Aromaticity was ...

Scientists have achieved the first real-time visualization of how 'excited-state aromaticity' emerges within just hundreds of femtoseconds and then triggers a molecule to change from bent to ...

Scientists have achieved the first real-time visualization of how "excited-state aromaticity" emerges within just hundreds of femtoseconds and then triggers a molecule to change from ...

Researchers in the UK and US have obtained crystallographic evidence for global aromaticity and anti-aromaticity in reduced cyclophane hydrocarbons. When [2 4]paracyclophanetetraene, a hoop of four ...

Researchers at Linköping University have used computer simulations to show that stable aromatic molecules can become reactive after absorbing light. The results, published in The Journal of ...

Density Functional Theory (DFT) based firstprinciple calculations have been performed to assess the influence of aromaticity on electron transport and charging energies of organic molecular Single ...

For the first time, researchers have achieved electrophilic substitutions – characteristic reactions for aromatics – in metal-containing Möbius aromatic compounds. ‘It undoubtedly shows the ...

Significance Electrophilic aromatic substitution (EAS) reactions are hallmarks of aromaticity. However, the potential of compounds with Möbius aromaticity to undergo EAS has been ignored for a long ...

aromaticity-core The core of aromaticity. Use that library to compute Molecule Properties and query PubChem. For more information visit: https://aromaticity.io/core.