The concept of aromaticity was initially introduced in chemistry to account for the stability,
reactivity, molecular structures, and other properties of many unsaturated organic …

Aromaticity is indispensable for explaining a variety of chemical behaviors, including
reactivity, structural features, relative energetic stabilities, and spectroscopic properties …

Herein, the electronic structure and bonding character of the stable cyclo [18] carbon (C18)
precursor, C18Br6, are thoroughly characterized by molecular orbital (MO), density of states …

We present SYSMOIC, a program package for the calculation of the origin-independent
current density induced at first order by an external magnetic field in planar and nonplanar …

The cyclo [18] carbon (C18) has piqued widespread interest in recent years for its
geometrical aesthetic and unique electronic structure. Inspired by it, theoretical …

The aromaticity of the newly synthesized [12] infinitene is addressed via analysis of the
magnetically induced current density and the induced magnetic field. Our calculations reveal …

This study delves into the magnetic response of core electrons and their influence on the
global magnetic response of planar and three-dimensional systems containing heavy …

The usefulness of aromaticity/antiaromaticity concepts to foresee structural stability patterns
and salient features of the electronic structure of small inorganic and all-metal rings has …

The magnetically induced current densities for ring-shaped hydrocarbons are studied at the
density functional theory (DFT) and second-order Møller− Plesset (MP2) levels using gauge …

Based on the local Shannon entropy concept in information theory, a new measure of
aromaticity is introduced. This index, which describes the probability of electronic charge …