A synthesized Schiff base,(E)-4-nitro-2-[(o-tolylimino) methyl] phenol (L), was prepared and
characterized by FT-IR, single crystal X-Ray diffraction, NMR chemical shift and UV–Vis …

Hybrid drug designs incorporating ferrocene as the main molecular template have shown
promise in the development of multitargeted therapeutics. This work presents a hybrid …

Inspired by our previous work, we herein demonstrate a one‐pot method to obtain
thiophenes by directly recurring to the thiolation and deoxygenation of Lawesson's reagent …

3-Ethyl-4-(2-benzenesulfonyloxy)-benzylideneamino-4, 5-dihydro-1H-1, 2, 4-triazol-5-one
has been optimized using the DFT/B3LYP and B3PW91 methods with the 6-311G (d, p) …

First-order nonlinear optical properties of a series of octupolar boroxine derivatives are
investigated using density functional theory (DFT) calculations. Boroxine acting as an …

Methyl-4-(3-(2-oxopyrrolidin-1-yl) propyl)-2, 4-dihydro-3 H-1, 2, 4-triazol-3-one was
synthesized and characterized by X-ray, FTIR and NMR spectroscopic techniques. The …

In this study, the important application areas of triazoles have increased the interest in
studies related to them. In this study, the structural parameters, vibrational frequency, the …

In the present theoretical study, the 2-[1-acetyl-3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl]-phenoxyacetic acide was optimized by B3PW91 and HF methods 6-311+ G (dp) basis …

In this study, theoretically spectral values of 2-(3-methyl-4, 5-dihydro-1H-1, 2, 4-triazol-5-one-
4-yl-azomethine)-phenyl cinnamate was calculated according to Gaussian G09W software …

In this study, the structural parameters, the electronic energy, the dipole moment (μ), the
highest occupied molecular orbital (HOMO) energy, the lowest unoccupied molecular orbital …