With different nitrogen‐containing heterocyclic moieties, Indazoles earn one of the places
among the top investigated molecules in medicinal research. Indazole, an important fused …

The most recent results dealing with the computation of 13 C NMR chemical shifts in
chemistry (small molecules, saturated, unsaturated and aromatic compounds, heterocycles …

Present review outlines the advances and perspectives of computational 1H and 13C NMR
applied to the stereochemical studies of inorganic, organic, and bioorganic compounds …

This review provides comprehensive data (from the author's work and the literature) on
tautomerism of pyrazoles, imidazoles, 1, 2, 3-and 1, 2, 4-triazoles, tetrazoles …

Theoretical calculations of 87 atranes, 113 considering the different endo/exo
conformations, with combinations of B, C, N, Al, Si, P and Ge atoms at the bridgehead …

Abstract A series of 4-(1H-benzo [d] imidazol-2-yl)-furazan-3-amines (BIFAs) were prepared
in good yields (60–90% for each reaction step) via a novel procedure from aminofurazanyl …

Recent advances in computation of 15 N NMR chemical shifts are reviewed, concentrating
mainly on practical aspects of computational protocols and accuracy factors. The review …

The molecular structure and NIR and UV induced phototransformations of indazole-3-
carboxylic acid were studied in low temperature argon and nitrogen matrices by FTIR …

Abstract The geometries of eighteen 1, 5-benzodiazepines including their oxo and thioxo
derivatives have been calculated and compared with experimental geometries determined …

The NMR chemical shifts of two azoles and one benzazole whose crystal structures present
polymorphism have been computed using the GIPAW approach. 15N and 13C nuclei have …