We present an alternative approach to the derivation of scaled quantum mechanical (SQM)
force fields involving the direct scaling of individual primitive valence force constants from a …

Tetrazoles exhibit a very rich photochemistry, strongly influenced by the nature of
substituents in the tetrazolic ring. Photolysis of representative tetrazoles trapped in a rigid …

Organic isocyanates are versatile intermediates that provide access to a wide range of
functionalities. In this work, we have developed the first synthetic method for preparing …

A methodological approach to the complex geochemical analysis of the coal fire in burning
coal mine heaps (BCMH) of Upper Silesian Coal Basin has been developed. The other …

A modified Jacobsen-type catalyst, possessing an hydroxyl group on the aldehyde fragment
of the salen ligand, was anchored through cyanuric chloride onto:(i) an air oxidized activated …

This review is devoted to organic selenocyanates. In the first part, the preparation of these
compounds is reported. Organic selenocyanates have been synthesized by reaction of …

We explored the mechanism and the origin of chemoselectivity of the manganese porphyrin-
catalyzed aliphatic C–H isocyanation reaction with density functional theory (DFT) …

The vibrations in the OCN stretching region of phenyl cyanate are examined by two-
dimensional infrared spectroscopy. In water and THF, these spectra display three diagonal …

Various astrophysical relevant molecules obeying the empirical formula C 2 H 3 NO are
characterized using explicitly correlated coupled cluster methods (CCSD (T)-F12) …

The unstable acetonitrile N-oxide molecule, CH3CNO, has been thermolytically generated
in very high yield in the gas phase from its stable ring dimer, dimethylfuroxan, and studied by …