The influence of Cr3+ doping on the ground state properties of SrTiO 3 perovskite was evaluated using GGA-PBE approximation. Computational modeling results infered an agreement with the previously published literature. The modification of electronic structure and optical properties due to Cr3+ introducing into SrTiO 3 were investigated. Structural parameters assumed that Cr3+ doping alters the electronic structures of SrTiO 3 by shifting the conduction band through lower energies for the Sr and Ti sites. Besides, results showed that the band gap was reduced by approximately 50% when presenting one Cr3+ atom into the SrTiO 3 system and particularly positioned at Sr sites. Interestingly, substituting Ti site by Cr3+ led to eliminating the ban

Increasing hydrocarbon recovery from tight reservoirs is an essential goal of oil industry in the recent years. Building real dynamic simulation models and selecting and designing suitable development strategies for such reservoirs need basically to construct accurate structural static model construction. The uncertainties in building 3-D reservoir models are a real challenge for such micro to nano pore scale structure. Based on data from 24 wells distributed throughout the Sadi tight formation. An application of building a 3-D static model for a tight limestone oil reservoir in Iraq is presented in this study. The most common uncertainties confronted while building the model were illustrated. Such as accurate estimations of cut-off permeab

Increasing hydrocarbon recovery from tight reservoirs is an essential goal of oil industry in the recent years. Building real dynamic simulation models and selecting and designing suitable development strategies for such reservoirs need basically to construct accurate structural static model construction. The uncertainties in building 3-D reservoir models are a real challenge for such micro to nano pore scale structure. Based on data from 24 wells distributed throughout the Sadi tight formation. An application of building a 3-D static model for a tight limestone oil reservoir in Iraq is presented in this study. The most common uncertainties confronted while building the model were illustrated. Such as accurate estimations of cut-off

The main objective of this paper is to find the order and its exponent, the general form of all conjugacy classes, Artin characters table and Artin exponent for the group of lower unitriangular matrices L(3,? p ), where  p  is prime number.

Compounds   [II   - [51  namely  2,5-(N,N'-diphenyldiamino)  -1,3,4- oxadiazole  [I],  2,5-(N,N'- diphenyl  diamino)  -1.3,4- thiadia:zole (2] ,4-

phenyl   Â·3-(N-phenyl   amino)-5-hydroxy-1,2,4-  triazolc  [31 ,3,5-(N,N'­

diphenyl diamino)-1 ,2,4- triazolc r4) and 4-phenyl  -5-(N-phenyl arnino)-

3-  th io l -1 ,2.4· triazole  [5) are prepared  and  studied.  Their  electronic

spectra in different  pH media and in dilferent  solvents were studied. The lR spectrum of compounds [3) and [5] showed  that these compounds are present in keto

Charge-transfer (CT) complexes of adenine (Ade.), guanine (Gua.), xanthine (Xan.), and inosine (Ino.) as electron donors with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ), 2,3,5,6-tetrabromo-1,4-benzoquinone (Bromanil)(BA) as π – electron acceptors and iodine (Iod.) as σ – electron acceptor were studied and their electronic spectra recorded .In each case one (CT) band was observed and recorded. These spectroscopic investigations made in ethanol solvent at (20°C) temperature. The values of equilibrium constant (KCT), change in standard free energy (ΔG°), molar extinction coefficient (εCT(, absorption band energy (hνCT) of CT complexes and the association energy of the CT complexes-excited state (W) were calculated and studie

In this research work, the novel polymer base on acrylamide N-methylene lactic and glycolic acid was synthesized and its structural performances were identified by the IR, 1H NMR and 13C NMR spectroscopic investigations. The influencing factors and kinetics of polymerization, viscosity performance were studied and quantum chemical calculations were used to identify the correlation between the structure and properties. It was determined that the polymerization rate of the examined monomers in an aqueous solution, in the presence of DAA, adheres to the standard rules for radical polymerization of acrylamide monomers in solution. An investigation into the pH solution's impact on the kinetics of radical polymerization of acrylamido-N-methyle

       Due to their high nutritional value, richness in carbohydrates and good source of protein, legumes are considered essential for human diet. Legumes flours were used as fermentable material for lactic acid production. Hence, previously isolated lactobacilli strains were used in this study. The strains showed strong microbial growth and their survival in glucose-containing MRS medium and were described using a modified Gompertz equation. Lactobacilli exhibited the shortest latency phase in MRS-glucose medium. While the highest lactic acid produced was 15.40g/l by Lpb. pentosus U1 isolate after 48hours. Furthermore, these strains were evaluated in flours samples for acidification capacity. The results showed a decrease

Ultrasonic absorption, velocity, viscosity, adiabatic compressibility, relaxation time and relaxation amplitude measurements are reported on different concentrations of poly(acrylic acid) solutions in common solvent water using pulsed ultrasonic apparatus technique operating at 26 kHz and 30 ºC. Results show an increase of velocity, viscosity, and absorption coefficient ،relaxation time and relaxation amplitude values with the increasing concentrations of the poly(acrylic acid) solutions, which might be the result of structural fluctuations of polymer molecules such as the segmental motions of the polymer chains. In contrast the compressibility decreases with the increasing concentration of this polymer. This study suggests there i