The aromaticity of benzene, Al42− cluster, cyclopropane, borazine and planar cyclooctatetraene (COT) was analyzed according to different strategies based on nucleus …
X Lin, W Wu, Y Mo - Journal of the American Chemical Society, 2023 - ACS Publications
The Möbius rule predicts that a planar four-membered metallacycle can be aromatic with four mobile electrons, but such a simple ring has escaped recognition because it usually …
Although aromaticity is a concept in chemistry, in the last years, special efforts have been carried out in order to propose theoretical strategies to quantify it as a property of molecular …
Here, we analyze the possibility of predicting local and global current densities in a series of bicyclic hydrocarbons with 4n and 4n+ 2 π-electrons from the nucleus-independent …
ND Charistos, AG Papadopoulos… - The Journal of Physical …, 2014 - ACS Publications
The magnetic response of the valence molecular orbitals (MOs) of benzene, cyclobutadiene, and borazine to an external magnetic field has been visualized by calculating the chemical …
Very recently, Boronski et al. reported the first thorium–thorium bond in a crystalline cluster prepared under normal experimental conditions. By using a range of experimental …
A simple and chemically intuitive approach is used to design ptC-containing E–C clusters (E= Si–Pb). This approach consists in replacing three or two consecutive protons from an …
The role of boron–ligand cooperation in activating molecular hydrogen by a set of six frustrated Lewis pair (FLP) systems is explored using density functional theory. The results …
The magnetic aromaticity of 6‐membered monoheterocycles containing Group 13 to 16 elements (C5H5X, where X= SiH, GeH, N, P, As, O+, S+, Se+) was assessed by using 2 …