Following the history of organic chemistry, studies on relations between chemical (and later
physicochemical) properties and the structure of chemical species in question are the heart …

The concept of aromaticity has been advanced beyond the framework of organic chemistry,
and multiple aromaticity (σ, π, and δ) has been observed to account for the highly symmetric …

Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 1–2)
and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in Menu …

The two directly substituted pentazoles, N 5 NH 2 and N 5 COOH, were designed to
theoretically study the relationships between substituents, aromaticity and kinetic stability …

The non-additivity of the substituent effect in para-, meta-and ortho-homo-disubstituted
benzenes was studied by means of the sEDA (I) and pEDA (I) substituent effect descriptors …

Abstract Two complexes of dihydroxylammonium 5, 5'‐bistetrazole‐1, 1'‐diolate (TKX‐50)
were employed to evaluate the aromaticity of their tetrazole rings via deep analysis such as …

The energies of [π orbitals of the aromatic compounds have been collected to give an index
of the aromatic character D where D={[π1Σ2n (π1-πn)]°/[π1Σ2n (π1-πn)]}× a and n is the …

The substituent effect in mono‐and disubstituted pyridines was studied by means of the
sEDA and pEDA substituent effect descriptors expressing the substituent effect on the σ‐and …

Optimal geometries and interaction energies of eleven model para-substituted pyridine⋯ X
2/XY/HX (X 2= F 2, Cl 2, Br 2; XY= ClF, BrF, BrCl and HX= HF, HCl, HBr) complexes have …

A new aromaticity index is proposed based on the energy of π orbitals D={[π1+ Σn2 (π1-πn)]
0/[π1+ Σn2 (π1-πn)]} xa, where n are the number of occupied π orbitals and a is the number …