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bsj-2760
Density functional theory study of molecular structure, Electronic properties, UV–Vis spectra on coumarin102.

The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in methanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, and dipole moment were measured. We find good agreement between experimental data of UV spectrum and TDDFT excitationenergies.

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Publication Date
Mon Aug 26 2019
Journal Name
Global Proceedings Repository American Research Foundation
Preparation, Spectra and Biological Properties of Transition Metals ((III) and (II) Mixed - Ligand Complexes with 5-Chlorosalicylic Acid and L-Valine

Mixed ligand metal complexes of CrIII, FeIII,II, NiII and CuII have been synthesized using 5-chlorosalicylic acid (5-CSA) as a primary ligand and L-Valine (L-Val) as secondary ligand. The metal complexes have been characterized by elemental analysis, electrical conductance, magnetic susceptibility measurements and spectral studies. The electrical conductance studies of the complexes indicate their electrolytic nature. Magnetic susceptibility measurements revealed paramagnetic nature of the all complexes. Bonding of the metal ion through –OHand –COOgroups of bidentate to the 5-chlorosalicylic acid and through –NH2 and –COOgroups of bidentate to the L-valine by FT-IR studies . The agar diffusion method has been used to study the antib

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Publication Date
Fri Jul 28 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Folic Acid With Fluorene: A Complexation Study by UV and FTIR Spectroscopies

The complexation between folic acid and a typical polyaromatic hydrocarbon, fluorene, was investigated using FTIR and UV spectra. Appearance of a new IR band at 2401cm−1 demonstrates that NH2–C=N moiety on pterin ring in folic acid is protonated when fluorene is introduced. The emergence of two charge transfer bands at 217 nm and 278 nm in UV difference spectra shows the presence of π-π complexation between folic acid and fluorene. These experiments confirm that fluorene could combine with the pterin ring of folic acid through π-π donor–acceptor interaction and induce the protonation process in folic acid upon strengthening electron accepting ability of pterin ring. The results suggest that complexatio

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Publication Date
Fri Jul 01 2011
Journal Name
Materials Chemistry And Physics
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Publication Date
Fri Apr 19 2019
Journal Name
Iraqi Journal Of Science
Time of store effect on the structure and photophysical properties of the heated fat of the plant

Vegetable sold oils (fat of the plant) were studied spectroscopy to determine its properties when it heating more than once, in this study the number of heating was 20 times and show the fat of the plant has been greatly affected by the heat. Aluminum and stainless steel were adopted for heating purposes. It turns out that the quality of the heating pot affects the spectrum specification. Changing the registered spectrum specifications for vegetable fat means a change in the characteristics of the same substance, which makes cooking use a second time with risks. Results were re-examined after six months showing significant risk of storage after heating to 300 oC the study proved that the structure of heating the vegetable oils changes an

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Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
Relative intensity distribution in the rotational structure for B1Σ+- A1Π and B1Σ+- X1Σ+ electronic systems of BeO molecule

Theoretical spectroscopic study of  Beryllium Oxide has been carried out, Boltzmann distribution of P, Q and R branches in the range of (0<J<13) at temperature 4200K for (0-0) band for electronic transitions B1Σ+-A1Π and B1Σ-X1Σ. The Boltzmann distribution of these branches has a maximum values at equal J approximately while the values of relative population are different. For the B1Σ+- X1Σ+ transition the branch's lines extend towards lower wavenumber. This is because (Bv'-Bv") value is negative, i.e  Bv'< Bv" For B1Σ+-A1Π

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Publication Date
Fri Jan 11 2019
Journal Name
Global Proceedings Repository American Research Foundation
Preparation, Spectra and Biological Properties of Transition Metals ((III) and (II) Mixed - Ligand Complexes with 5-Chlorosalicylic Acid and L-Valine

Mixed ligand metal complexes of CrIII, FeIII,II, NiII and CuII have been synthesized using 5-chlorosalicylic acid (5-CSA) as a primary ligand and L-Valine (L-Val) as secondary ligand. The metal complexes have been characterized by elemental analysis, electrical conductance, magnetic susceptibility measurements and spectral studies. The electrical conductance studies of the complexes indicate their electrolytic nature. Magnetic susceptibility measurements revealed paramagnetic nature of the all complexes. Bonding

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Publication Date
Mon Oct 01 2012
Journal Name
Iraqi Journal Of Physics
Effects of copper doping and annealing on the structure and optical properties of ZnxCdx-1S thin films

Effect of copper doping and thermal annealing on the structural and optical properties of Zn0.5Cd0.5S thin films prepared by chemical spray pyrolysis have been studied. Depositions were done at 250°C on glass substrate. The structural properties and surface morphology of deposited films were studied using X-ray diffraction (XRD) and photomicroscope (PHM) techniques. XRD studies reveal that all films are crystalline tetragonal structure. The film crystallinity are increased with 1% Cu-doping concentration and also increased for the films annealed at 300°C than the other studied cases. The lattice constant 'a' and 'c' varies with doping concentrations from 5.487Å to 5.427Å and 10.871Å to 10.757Å respectively. The grain size attained

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Effect of Argon Gas on the Structure and Optical Properties of Nano Titanium Oxide Prepared by PLD

In this research the effect of laser energy by using argon gas on the some physical properties of semiconductor film of TiO2, was studied used Q-Switch Nd:YAG laser in different energies (600-1000) mJ with temperature 100 0C for glass substrate under vacuum nearly 10-3 - - , and by AFM test the roughness of films increased when the energy of laser increased too. The values of roughness between (6.77-13) nm, therefore the thicknesses increased to change from (34.88 - 165.48) nm, so the absorption of film increased because of the thickness of the film increased and we can get the optical energy gap between (3.6-3.9) eV.

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Publication Date
Wed Jan 01 2020
Journal Name
Journal Of Clinical And Experimental Dentistry
The effect of osseodensification on implant stability and bone density: A prospective observational study

Background: The aims of this study were to evaluate the effect of implant site preparation in low-density bone using osseodensification method in terms of implant stability changes during the osseous healing period and peri-implant bone density using CBCT. Material and methods: This prospective observational clinical study included 24 patients who received 46 dental implants that were installed in low-density bone using the osseodensification method. CBCT was used to measure the bone density pre- and postoperatively and implant stability was measured using Periotest® immediately after implant insertion and then after 6 weeks and 12 weeks postoperatively. The data were analyzed using paired t-test and the probability value <0.05 was conside

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Publication Date
Sun Mar 02 2014
Journal Name
Baghdad Science Journal
Rapid Detection of Aspergillus flavus isolates producing aflatoxin using UV light on different culture media

This study included the isolation and identification of Aspergillus flavus isolates associated with imported American rice grains and local corn grains which collected from local markets, using UV light with 365 nm wave length and different media (PDA, YEA, COA, and CDA ). One hundred and seven fungal isolates were identified in rice and 147 isolates in corn.4 genera and 7 species were associated with grains, the genera were Aspergillus ,Fusarium ,Neurospora ,Penicillium . Aspergillus was dominant with occurrence of 0.47% and frequency of 11.75% in rice grains whereas in corn grains the genus Neurospora was dominant with occurrence of 1.09% and frequency 27.25% ,results revealed that 20 isolates out of 50 A. flavus isolates were able

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