We give an overview of the molecular response to an external magnetic field perturbing
quantum mechanical systems. We present state-of-the-art methods for calculating …

Cyclic five-membered frustrated phosphane/borane (1) based Lewis pairs containing borole
(2a/2b/2c), dihydro-borole (3), and 1, 4-azaborine (4) ring are computationally designed …

A review of the literature published from January to December 2019 on theoretical aspects
of nuclear magnetic shielding is presented. It covers both non-relativistic and relativistic …

The aromaticity of substituted benzenes is calculated employing the nucleus-independent
chemical shift (NICS), gauge including magnetically induced ring current and electron …

Claisen and Cope rearrangements are [3, 3]-sigmatropic rearrangements thermally
activated that occur through six-membered transition states. Although extensively …

A new one-pot acid-and exogenous oxidant-free synthesis of pyrrolo [2, 3-c] quinolines has
been developed. This strategy involves the chemoselective reduction of 3-(2-nitrophenyl) …

Current densities are induced in the electronic structure of molecules when they are
exposed to external magnetic fields. Aromatic molecular rings sustain net diatropic ring …

The magnetically induced current density of an intriguing naphthalene-fused
heteroporphyrin has been studied, using the quantum-chemical, gauge-including …

Low oxidation-state silicon compounds are fundamentally interesting for both academic
research and industry. Phosphorus-substituted, two-coordinate congeners thereof are …

Shining Light on the Molecular Jewellery : Excited State (Anti)Aromaticity Assessment of
Small Heterocycles diva-portal.org Digitala Vetenskapliga Arkivet Simple search Advanced …