Two series of 1,3,4-oxadiazole derivatives at the sixth position of the 2,4-di-
The spectroscopic properties, potential energy curve, dipole moments, total charge density, Electrostatic potential as well as the thermodynamic properties of selenium diatomic halides have been studied using code Mopac.7.21 and hyperchem, semi-empirical molecular orbital of MNDO-method (modified neglected of differential overlap) of parameterization PM3 involving quantum mechanical semi-empirical Hamiltonian. The relevant molecular parameters like interatomic distance, bond angle, dihedral angle and net charge were also calculated.
The effect of doping by methyl red and methyl blue on the absorption spectra and the optical energy gap of poly (methyl methacrylat) PMMA film have been studied. The optical transmission (T%) in the wavelength range 190-900 nm for films deposited by using solvent casting method were measured. The Absorptance data reveals that the doping affected the absorption edge as a red and blue shift in its values. The films show indirect allowed interband transitions that influenced by the doping. Optical constants; refractive index, extinction coefficient and real and imaginary part of dielectric constant were calculated and correlated with doping.
A OUI,tiper of LWW lig_;:tnds .of ppen sides. of Bis-'Oxad1azoJe· and·
Bis-triazole derived from dichloroetbane and [Bis 0-ohloro et!:ty)
= :=:: =
ether)] (BCEE)' wersynthesi:zed. These inelude: 1, 4- bis[-3{thio- 2 -
. (Chloro·ethyl)l1 1;4 - oxadiazole ......$yl] butane (-L I);1 4 B'is {phenl-
3{th
... Show MoreIn this study, the sonochemical degradation of phenol in water was investigated using two types of ultrasonic wave generators; 20 kHz ultrasonic processor and 40 kHz ultrasonic cleaner bath. Mineralization rates were determined as a function of phenol concentration, contact time, pH, power density, and type of ultrasonic generator. Results revealed that sonochemical degradation of the phenol conversion was enhanced at increased applied power densities and acidic conditions. At 10 mg/L initial concentration of phenol, pH 7, and applied power density of 3000 W/L, the maximum removal efficiency of phenol was 93% using ultrasonic processor at 2h contact time. Whereby, it was 87% using and ultrasonic cleaner bath at 16h contact time and 150 W
... Show MoreIn this research a study of some electrical properties Of (Te) thin films with(S) impurities of(1.2%) were deposited at( Ө=700)by thermal evaporation technique .The thicknesses of deposited films were (1050 , 1225 , 1400 , 1575 nm) on a glass substrates of different dimensions . From X-ray diffraction spectrum, the films are polycrystalline .A study of (I-V) characteristic for thin films, the measurements of electrical conductivity (σ)and electrical resistance(R )vs. temperature( T) are done. Further a measurement of thermoelectric power, see beck coefficient and activation energies ( Ea, Es) were computed
Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT Density Functional Theory through B3LYP/High Base Set 6-311++G (2d,2p) on Gaussian program09. Moreover, an experimental study has been done to obtain the electrons spectrum for benzoic acid with and without ethanol. While the experimental study is done by using UV/VIS. spectrophotometer. Energy gap values of electronic transition between HOMO and LUMO is obtained from theoretical and experimental results. Consequently, the theoretical result for determining the energy gap calculated from EHOMO-LUMO wasvery close to the results of UV / VIS. spectrum. A theoretica
... Show MoreThe objective of this study is to examine the properties of Bayes estimators of the shape parameter of the Power Function Distribution (PFD-I), by using two different prior distributions for the parameter θ and different loss functions that were compared with the maximum likelihood estimators. In many practical applications, we may have two different prior information about the prior distribution for the shape parameter of the Power Function Distribution, which influences the parameter estimation. So, we used two different kinds of conjugate priors of shape parameter θ of the <
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