Quantum chemical computations and in silico biological evaluation of three substituted
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …

Herein the designed novel benzotriazole-oxadiazole hybrid compounds were synthesized
using both conventional method and ultrasound sonication (US) as an environmentally …

This manuscript presents the detailed experimental and computational structural, physical
property study of 3-phenyl-5-isooxazolone (3P5I). Different experimental spectral studies …

Seven novel azo dyes with 2-pyridone and dihydropyrimidinone moieties have been
synthesized and thoroughly characterized. The azo-hydrazone tautomerism has been …

Cancer is a disease of striking significance in the world today. It is the second leading cause
of death in the world after cardiovascular diseases and it is projected to beginning the …

In this investigation, optimization geometry of the molecule, FT-IR, FT-Raman, and UV-Vis
spectra, vibrational frequencies, assigning of suitable vibrational modes of Bendamustine …

The detailed experimental and computational analysis [Hartree-Fock (HF), Time-Dependent
Density-Functional Theory (TD-DFT) and Second-Order Møller-Plesset Perturbation Theory …

The dye of azo compound is prepared by coupling reaction of dizonium salt of sulfanilamide
with benzoylacetone. The product is characterized by FTIR spectroscopy, Mass …

The experimental (x-ray, FT-IR NMR and UV-Vis. Spectral data) and theoretical researches
of N-(2-((2-chloro-4, 5-dicyanophenyl) amino) ethyl)-4-methylbenzenesulfonamide molecule …

In this contribution, four new compounds synthesized from 4-hydroxycoumarin and
tyramine/octopamine/norepinephrine/3-methoxytyramine are characterized …