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 …

In 1972 Erich Clar formulated his aromatic pi-sextet rule that allows discussing qualitatively
the aromatic character of benzenoid species. Now, forty years later, Clar's aromatic pi-sextet …

The reductive amination process under hydrogen at high pressure catalyzed by iron
complexes is of great synthetic interest. In this work, we report density functional theory …

Charge-assisted hydrogen bonds (CAHBs) of N–H··· Cl, N–H··· Br, and P–H··· Cl type were
investigated using advanced computational approach (MP2/aug-cc-pVTZ level of theory) …

Resonance Assisted Hydrogen Bonds (RAHBs) are particularly strong H-Bonds (HBs) which
are relevant in several fields of chemistry. The traditional explanation for the occurrence of …

The reductive amination reaction of imines catalyzed by Knölker-type iron complexes
under hydrogen at high pressure is very interesting in synthetic terms. This type of reaction is …

In this work, we used the induced magnetic field (B ind) to study the degree of aromaticity of
the planar (HF) 3 ring. The induced magnetic field analysis shows that the degree of electron …

The energies of the O− H∙∙∙ O= C intramolecular hydrogen bonds were compared
quantitatively for the series of ortho-disubstituted benzenes and Z-isomers of olefins via a …

A method for the calculation of the intramolecular hydrogen bond (HB) energy (E HB) by
molecular tailoring approach for hydroxycarbonyl aliphatic compounds has been used for …

A supramolecular approach that uses hydrogen‐bonding interaction as a driving force to
accomplish exceptional self‐sorting in the formation of imine‐based covalent organic cages …