The powerful independent gradient model (IGM) method has been increasingly popular in
visual analysis of intramolecular and intermolecular interactions in recent years. However …

The carbon nanorings, possessing a radial π system, have garnered significant attention
primarily due to their size‐dependent photophysical properties and the presence of a unique …

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 …

Understanding the interaction mechanism of CO, NO, and NH3 gas molecules with cyclo
[18] carbon (C18 nanocluster) is important in developing C18 nanocluster based sensors for …

Cyclo [18] carbon has a very unique geometry and electronic structure. We found that an
external electric field (EEF) has an ultrastrong regulation effect on various aspects of the …

The electronic spectra and (hyper) polarizability of C18–(CO) n (n= 2, 4, and 6) are studied
using theoretical calculations to reveal the effect of introducing carbonyl (–CO) groups on …

The bonding character, electron delocalization, and aromaticity of the cyclo [18] carbon
(C18) precursors, C18‐(CO) n (n= 6, 4, and 2), have been studied by combining quantum …

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 recently synthesized novel figure-of-eight nanohoop with two strained
oligoparaphenylenes (OPPs) was theoretically designed to collect and stabilize new …

A novel supramolecular complex (2C18@ OPP) constructed from two kinds of unique
nanorings, all-carboatomic cyclo [18] carbon (C18) and figure-of-eight carbon hoop (OPP) …