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 …

Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

Abstract cyclo [18] carbon is an all-carboatomic ring observed recently in experiment.
Inspired by the distinctive feature in structure and bonding nature, we explored …

The characteristic of π electrons has a crucial role in determining various properties of
chemical systems, such as reactivity, aromaticity and spectroscopy. There are a large …

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 …

The interaction and electron transfer between pollutant molecules and photocatalysts are
critical to the degradation process but has been rarely studied. In the present contribution …

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 …

Nickel-catalyzed reductive cross coupling of activated primary amines with aryl halides
under mild reaction conditions has been achieved for the first time. Due to the avoidance of …

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