peroxyoxalate system includes an oxalate ester, peroxide and a fluorescer, the energy resulted from the reaction of oxalate ester and peroxide is transferred to fluorescer and cause it to fluorsc. the effect of reactants chemical structure, their concentration, solvent media (polarity and viscosity) and the temperature, on the intensity of the illuminated light with respect to time have been st...

The metal-assisted chemical etching (MACE) was used to synthesis silicon nanowires. The effect of etchant concentration, etching and chemical plating time and doping density on silicon nanowires length were investigated. It is held that the increasing of HF and H2O2 concentrations lead to etching rate increment and formation of wire-like structure. The results show that, the appropriate ratio o...

Polyaniline (PANI) nanocomposite has been successfully prepared in aqueousmedia by the chemical polymerization of aniline with ammonium peroxydisulphateas an initiator in the presence of a steric stabilizer such as sodium dodecylbenzenesulfonate(DBSNa), Poly(vinyl pyrrolidone) (PVP), poly(vinyl alcohol)(PVA), poly(ethylene glycol) (PEG) and hydroxypropylcellulose (HPC). Thechemical structure, m...

In this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. These calculations were carried out using the B3LYP/6-31G(d) level of theory. The DFT calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine moiety has a chair conformation. Thermal energies (E), enthalpies (H), and free energies (G) o...

Peroxyoxalate system includes an oxalate ester, peroxide and a fluorescer, The energy resulted from the reaction of oxalate ester and peroxide is transferred to fluorescer and cause it to fluorsc. The effect of reactants chemical structure, their concentration, solvent media (polarity and viscosity) and the temperature, on the intensity of the illuminated light with respect to time have bee...

Emissions from fossil fuel combustion pose a serious threat to public health and =pose the need for animproved monitoring of polycyclic aromatic hydrocarbons (PARS), a major class of persistent organicpollutants. For this purpose the present study reports an investigation of the electronic structure of Pyrene byuse of different chemical models We also made a comparison between different chemica...

Geometrical structure, nuclear magnetic resonance (N1,1It) chemical shielding tensors, and chemical shiftsof silicon and carbon nucler are investigated for twn infinite size zigzag and armchair single-walled siliconcarbide nanotabes (SiCNTs). Geometrical structures of SieNTs, Sit bonds and bond angles of St and Cvertices in both zigzag and armchair nanotubes, Indicate that bond lengths are appr...

In the present work, the quantum theoretical calculations of the molecular structure of the compound 2-(Cyclohexylamino)-2-oxo-1-(quinolin-4-yl)ethyl 4-Chlorobenzoate have been predicted using Density Functional Theory (DFT) in the gas phase. The geometry of the title structure was optimized by B3LYP/6-31+G* and HF/6-31+G* levels of theory. The theoretical 1H and 13C NMR chemical shift values o...