Abstract The title compound (E)-4-Bromo-N'-(2, 4-dihydroxy-benzylidene) benzohydrazide
(4BDBH) a novel hydrazone Schiff base compound was synthesized effectively by …

Deep eutectic solvents have quickly attracted the attention of researchers because they
better meet the requirements of green chemistry and thus have the potential to replace …

Novel metal-free tri-s-triazine terminal-linked ionic liquids have been developed from
various precursors of urea-derivative-based ionic liquid/urea by a co-condensation method …

The Fourier transform infrared (FTIR) and FT Raman (FTR) of 4-4′-(1H-1, 2, 4-triazol-1-yl
methylene) dibenzonitrile (4-HTMDBN) have been recorded and analyzed. The equilibrium …

Deep eutectic solvents (DES) are formed by an acceptor and a donor of hydrogen bonds.
They are generally considered as a possible alternative to hazardous organic solvents in …

Vitamin C is an important human micronutrient. It has many vital biological functions in
human health. In this research paper, the molecule of vitamin C was optimized and energy …

Computational quantum chemical study and biological evaluation of a synthesized novel
sulfur heterocyclic thiophene derivative containing 1, 2, 3-triazole and pyridine moieties …

In this study, geometrical optimization, spectroscopic analysis, electronic structure and
nuclear magnetic resonance studies of 4-Methoxy-4′-Nitrobiphenyl (abbreviated as 4M4 …

In this work, the experimental and theoretical study on molecular structure and vibrational
spectra of 4-nitrotoluene are studied. The FTIR and FTRaman experimental spectra of the …

Abstract Hartree-Fock (HF) and Density Functional Theory (DFT) play an important role in
computational quantum theory especially in physical chemistry. Melatonin is a hormone …