The electronic characteristics, including the density of state and bond length, in addition to the spectroscopic properties such as IR spectrum and Raman scattering, as a function of the frequency of Sn₁₀O₁₆, C₂₄O_6, and hybrid junction (Sn₁₀O₁₆/C₂₄O₆) were studied. The methodology uses DFT for all electron levels with the hybrid function B3-LYP (Becke level, 3-parameters, Lee–Yang-Parr), with 6-311G (p,d)  basis set, and Stuttgart/Dresden (SDD) basis set, using Gaussian 09 theoretical calculations. The geometrical structures were calculated by Gaussian view 05 as a supplementary program. The band gap was calculated and compared to the measured valu

A precise, simple, and accurate continuous flow injection technique was used for the instantaneous estimation of bromhexine hydrochloride (BH-HCl) in tablet dosage form. The chemical and physical parameters of the reaction of BH-HCl with tetraphenylborate to produce a yellowish-white precipitate were determined using an ISNAG fluorimeter analyzer and diverging light at 90°. The calibration curve for BH-HCl was linear with correlation coefficients of 0.9994 and linearity percentage r2% = 99.87 over a concentration range of 0.01-20 mmol/L, L.O.D = 0.3610 µg/125µL (0.007 mmol/L), and RSD% less than 0.3% for 3 and 13 mmol/L (five replicates). This approach was efficiently used to estimate the levels of BH-HCl in two distinct pharmaceutica

This work includes synthesis of new six membered heterocyclic rings with effective amino group using the reaction of benzylideneacetophenone (chalcone) (1) with thiourea or urea in alcoholic basic medium to form: 1,3-thiazen-2-amine (2), and 1,3-oxazin-2-amine (8) respectively. The diazotization reaction was carried out with sodium nitrite in presence of hydrochloric acid to form diazonium salts which suffered coupling reaction with naphthols and phenols in the presence of sodium hydroxide to form colored azo dyes (4-7, and 10-13). o-methylation reaction of compounds (7) and (10) yielded : 1,3-thiazin -2-yl-diazenyl (14), and 1,3-oxazin-2-yl-diazenyl (15) respectively.The new compounds were characterized using vario

Simple and sensitive batch and Flow-injection spectrophotometric methods for the determination of Procaine HCl in pure form and in injections were proposed. These methods were based on a diazotization reaction of procaine HCl with sodium nitrite and hydrochloric acid to form diazonium salt, which is coupled with chromatropic acid in alkaline medium to form an intense pink water-soluble dye that is stable and has a maximum absorption at 508 nm. A graphs of absorbance versus concentration show that Beer’s law is obeyed over the concentration range of 1-40 and 5-400 µg.ml-1 of Procaine HCl, with detection limits of 0.874 and 3.75 µg.ml-1 of Procaine HCl for batch and FIA methods respectively. The FIA average sample throughput was 70 h-1. A

    This paper deals with finding the approximation solution of a nonlinear parabolic boundary value problem (NLPBVP) by using the Galekin finite element method (GFEM) in space and Crank Nicolson (CN) scheme in time, the problem then reduce to solve a Galerkin nonlinear algebraic system(GNLAS). The predictor and the corrector technique (PCT) is applied here to solve the GNLAS, by transforms it to a Galerkin linear algebraic system (GLAS). This GLAS is solved once using the Cholesky method (CHM) as it appear in the matlab package and once again using the Cholesky reduction order technique (CHROT) which we employ it here to save a massive time. The results, for CHROT are given by tables and figures and show

The annealing temperature (200–500 °C) effects of optical frequency response on the dielectric functions of sol–gel derived CuCoOx thin film coatings: experimental and modelling.

The charge density distributions of 10 B nucleus are calculated using the
harmonic oscillator wave functions. Elastic and inelastic electron scattering
longitudinal form factors have been calculated for the similar parity states of 10B
nucleus where a core of 4He is assumed and the remaining particles are
distributed over 3/ 2 1p and 1/ 2 1p orbits which form the model space.
Core-polarization effects are taken into account. Core-polarization effects are
calculated by using Tassie model and gives good agreement with the measured
data.