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 theoretical method is considered extremely appropriate towards compounds capable of absorbing in vacuum UV.
Abstract
This paper deals with the concept of electronic reference services in academic
libraries , showing forms of communications , training needs for reference librarians
and the role of the librarian in the new technological environment.
Georeferencing process is one of the most important prerequisites for various geomatics applications; for example, photogrammetry, laser scan analysis, remotely sensing, spatial and descriptive data collection, and others. Georeferencing mostly involves the transformation of coordinates obtained from images that are inhomogeneous due to accuracy differences. The georeferencing depends on image resolution and accuracy level of measurements of reference points ground coordinates. Accordingly, this study discusses the subject of coordinate’s transformation from the image to the global coordinates system (WGS84) to find a suitable method that provides more accurate results. In this study, the Artificial Neural Network (ANN) method wa
... Show MoreThe available experimental data of proton electronic stopping power for Polyethylene, Mylar, Kapton and Polystyrene are compared with Mathematica, SRIM2013, PSTAR and libdEdx programs or databases. The comparison involves sketching out both experimental and databases data for each polymer to discuss the agreement. Further, we use statistical means via standard deviation resulting from the mean normalized difference to describe the precise agreement among the databases and the experimental data. We found that there is not a specific one database can describe the experimental data for certain material at given proton energy.
Pulsed laser ablation in liquid (PLAL) technique can produce high purity nanoparticles, it is a top-down physical method based on the principle of dividing metal ion bulk precursors into metal atoms, this method was used in this work to synthesis cobalt nanoparticals (CoPNs) with the use of Nd: YAG laser with two wavelengths (355 nm) and (532 nm) at energies (500 mJ) and (600 mJ) respectively, with number of pulses (1000,1100, 1200, 1300, and 1400) for each wavelength. The properties of the prepared nanoparticles were studied by UV-Vis, XRD, SEM with EDX, AFM, and FTIR analysis and then its antibacterial activity was studied by applying it on two types of bacteria with gram-positive (Staphylococcus aureus, Streptococc
... Show MoreA theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolut
... Show MoreThis study was for searching for Cholera Bacteria serotype which causes epidemiology Cholera in the 2007 in a fast method which contains (Rapid Visual Test) (Crystal V.C.) which was used for the first time in Iraq to diagnosis of Cholera Bacteria & compared with the traditional bacteriology method. The Cholera disease is one of the most dangerous epidemiological diseases which lead to death with a percentage of (50 – 70) % in the severe cases for untreated patients . For this purpose, 100 samples of stool from the patients from a (13) hospitals in Baghdad Governorate in the period from August to the end of December. The Cholera was diagnosis in two methods, 1st method was the fast method using the nitrocellulose which is coated with anti-
... Show MoreThe proliferation of electronic games, video games and computers has caused children and teenagers to become attracted to these games and become their favorite entertainment. The widespread of these games has generated widespread debate about positive aspects and negative aspects. It is evident that there are two main trends in the impact of electronic games on the behavior of children and adolescents. The first trend is that e-games have positive effects on children and adolescents, especially in cognitive abilities and skills in learning. While the second view sees that electronic games have negative effects that appear in social isolation and lack of movement and aggression. Through the review of previous literature, the current resea
... Show More