Push–pull alkenes, which bear electron-donating and-accepting group (s) at both termini of
a C C double bond, respectively, are of interest not only for their unique electronic …

Oxadiazoles experienced an almost 80-year long period of scientific lethargy before they
tickled the curiosity of chemists. The study of chemical and photochemical reactivity of 1, 2, 4 …

The infrared and near-infrared spectra of the aqueous solutions of dimethyl sulfoxide are
revisited. Experimental and computational vibrational spectra are analyzed and compared …

The N-heterocyclic carbene (NHC)-organocatalyzed [3+ 3] annulation of 2-bromoenals with
β-oxodithioesters resulting in the enantioselective synthesis of dihydrothiopyranones is …

This study aims to cast light on the nature of interactions and cooperativity that exists in
linear dimethyl sulfoxide (DMSO) clusters using dispersion corrected density functional …

The effect of the anion size and electronegativity of halide-based anions (Cl–, Br–, I–, and
BF4–) on the interionic interaction in 1-ethyl-3-methylimidazolium-based ionic liquids (ILs) …

Quantum chemical theory (DFT and MP2) and vibrational spectroscopy (ATR-IR and
Raman) were employed to investigate the electronic structure and molecular interactions in …

Lithium-oxygen batteries are a promising technology because they can greatly surpass the
energy density of lithium-ion batteries. However, this theoretical characteristic has not yet …

Context Theoretical investigation of indole (IND) and its binary combination with
dichloromethane (DC) in various solvents were computed to track the impact of molecular …

An operationally simple and efficient domino etiquette has been developed for the facile
construction of 1, 2-dithioles employing easily accessible dithioesters as a three-atom CCS …