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

Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …

In 1972, within a study of the structure-dependency of total π π-electron energy (EE), it was
shown that EE depends on the sum of squares of the vertex degrees of the molecular graph …

Within the context of reactivity descriptors known in conceptual DFT, the linear response
function (χ (r, r′)) remained nearly unexploited. Although well known, in its time dependent …

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 …

Aromaticity is an important concept in chemistry primarily for organic compounds, but it has
been extended to compounds containing transition-metal atoms. Recent findings of …

B19−: An Aromatic Wankel Motor × Close The Infona portal uses cookies, ie strings of text
saved by a browser on the user's device. The portal can access those files and use them to …

Aromaticity of borazine, which has been subject of controversial discussions, is addressed.
Beside a short review on aromaticity of borazine we report a detailed analysis of two …

Sets of boron rings enclosing planar hypercoordinate group 14 elements (AB n (n-8); A=
group 14 element; n= 6− 10) are designed systematically based on geometrical and …

CAl4Be and CAl3Be2 − : global minima with a planar pentacoordinate carbon atom -
Chemical Communications (RSC Publishing) DOI:10.1039/C0CC03479G Royal Society of …