Measurement and theoretical prediction of magnetic properties have become an essential
tool for the chemical community. Today, NMR spectroscopy is probably the most powerful of …

BJOC - One hundred years of benzotropone chemistry Journal Logo Diamond Open Access
Logo Beilstein Institut Open main menu / Home / Articles / SUBMISSION / About / The BJOC …

A systematic estimation of aromaticity in oxocarbon acids, their dianions, squaramide and its
complex with the ammonium cation have been studied using structural and magnetic …

A systematic estimation of aromaticity in squaramide complexes with anions has been
studied using structural and magnetic criteria. Results based on Nucleus Independent …

Magnetic shielding studies demonstrate that nickel norcorrole (NiNc) and norcorrole (H2Nc)
provide unusual examples of stable molecules with high antagonistic levels of …

A recently developed special MNDO parameterization for NMR chemical shifts is used to
compute the nucleus-independent chemical shifts (NICS) for a wide range of organic …

Proton chemical shifts and nucleus-independent chemical shifts (NICS) have been
computed for [N] phenylenes and related compounds using the GIAO/HF method. Proton …

Abstract Analysis of the variations of the off‐nucleus isotropic magnetic shielding, σiso (r),
around thiophene, thienothiophenes, dithienothiophenes and sulflowers in their electronic …

Transition structures, energetics, and nucleus-independent chemical shifts (NICS) for Cope
rearrangements of cis-2, 3-divinylaziridine (1N), cis-2, 3-divinyloxirane (1O), cis-2, 3 …

Aromaticity of pyrrole, indole, isoindole, indolizine, carbazole, furan, benzofuran,
isobenzofuran, dibenzofuran, thiophene, benzothiophene, benzo [c] thiophene and …