In this work, four electronic states ( ,   , and   ) of some diatomic molecules (InF and InCl) was studied by TD-DFT with energy represented by the exchange-correlation energy. The SAOP/ATZP model was applied here to determine all parameters (r_e, B_e, D_e, , , T_e , and were determined to creation reliable values for electron spectroscopy. Also, another set of this calculation has been used represented by two theoretical models: ATZP and et-QZ3P-xD model. Therefore these theoretical models for (   and   , and   ) of the molecules have been compared with many values, theoretical and experimental values,  and appear converge

The influence of different thickness (500, 1000, 1500, and 2000) nm on the electrical conductivity and Hall effect measurements have been investigated on the films of copper indium gallium selenide CuIn1-xGaxSe2 (CIGS) for x= 0.6.The films were produced using thermal evaporation technique on glass substrates at R.T from (CIGS) alloy. The electrical conductivity (σ), the activation energies (Ea1, Ea2), Hall mobility and the carrier concentration are investigated and calculated as function of thickness. All films contain two types of transport mechanisms of free carriers, and increases films thickness was fond to increase the electrical cAnductivity whereas the activation energy (Ea) would vary with films thickness. Hall Effect analysis resu

   The influence of different thickness (500, 1000, 1500, and 2000) nm on the electrical conductivity and Hall effect measurements have been investigated on the films of copper indium gallium selenide CuIn1-xGaxSe2 (CIGS) for x= 0.6.The films were produced using thermal evaporation technique on glass substrates at R.T from (CIGS) alloy.     The electrical conductivity (σ), the activation energies (Ea1, Ea2), Hall mobility and the carrier concentration are investigated and calculated as function of thickness. All films contain two types of transport mechanisms of free carriers, and increase films thickness was fond to increase the electrical conductivity whereas the activation energy (Ea) would vary with f

Fe, Co and Sb nanopowders were fruitfully prepared by electrical wire explosion method in Double distilled and de-ionized water (DDDW) media. The formation of iron, cobalt and antimony (FeCoSb) alloy nanopowder was monitored by X-ray diffraction. The x-ray diffraction pattern indicates that there are iron, cobalt and antimony peaks. Optical properties of this alloy nanoparticles were characterized by UV-Visible absorption spectra. The absorption peak position is shifted to the lower wavelengths when the current increases. That means the mean size of the nanoparticles controlled by changing the magnitude of the current. The surface morphological analysis is carried out by employing Scanning Electron Microscope (SEM). Particles with varies

  The present study included  the impact of the follow-up variation in the temperature of aqueous medium in the vertical migration behavior of different groups of Zooplankton, consisted species Cyclops vernalis, Daphnia magna, Diaptomus dilopatus, that have been grown in controlled in terms of light and pH laboratory conditions, so choosing temperature of respectively 16,20,24,28, and 32 ËšC. The result showed a clear change in the migration behavior of testing planktonic species, it was a negative relationship between temperatures arises and individual of D. magna in the water column.While being appositive relationship with individual of C. vernalis and the same with D. dilopatus. Also, the result revealed a different impact

Electron Transfer reaction rate constants at Semiconductor / Liquid interfaces are calculated dy using the Fermi Golden Rule for Semiconductor. The reorganization energy   eV is computed for Semiconductor / Liquid Interfaces system in two solvents and compared with experimental value. The driving force (free energy) ΔGo(eV) is calculated depending on spectrum Ru(H2L`)2 (NCS)2 . The transfer is treated according with weak coupling (nonadiabatic) for two – state level between the Semiconductor and acceptor molecule state.

   Theoretically description of the electron transfer of the electron transfer of met/mol has been investigated in this work according to the quantum theory. By using a model that is derived depending on the first order perturbation theory, the rate constant at met/mol interface can be calculated with the calculated reorganization energy. The reorganization energy that is evaluated according to the outer sphere model is based on the electstatistics potential of the molecular donor and acceptor. The molecular parameters introduced in this model are the molecular weight, mass, density, and radius of molecule have been evaluated according to the apparent molar volume using spherical approach.       Th

Catalytic microwave-assisted pyrolysis of biomass is gaining popularity as an alternative to fossil fuels due to health, environmental, climate, and economic issues. This study conducted a catalytic pyrolysis process of the Albizia plant's branches using an Iraqi clay catalyst (bentonite) focusing on the variables including the biomass-particle size, experimental time, microwave power level, and the catalyst-to-biomass ratio. The physical and chemical properties of the resulting biofuel were analyzed presented by HHV, acidity, density, viscosity, GC-MS, FTIR for bio-oil and SEM, EDX, BET, HHV, FTIR for biochar. The study revealed that addition of bentonite as a catalyst led to enhanced production of biogas produced from 5% to 45% an