Schiff base (methyl 6-(2- (4-hydroxyphenyl) -2- (1-phenyl ethyl ideneamino) acetamido) -3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0] heptane-2-carboxylate)Co(II), Ni(II), Cu (II), Zn (II), and Hg(II)] ions were employed to make certain complexes. Metal analysis M percent, elemental chemical analysis (C.H.N.S), and other standard physico-chemical methods were used. Magnetic susceptibility, conductometric measurements, FT-IR and UV-visible Spectra were used to identified. Theoretical treatment of the generated complexes in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (ΔH˚f), binding energy (ΔEb
... Show MoreSchiff base (methyl 6-(2- (4-hydroxyphenyl) -2- (1-phenyl ethyl ideneamino) acetamido) -3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0] heptane-2-carboxylate)Co(II), Ni(II), Cu (II), Zn (II), and Hg(II)] ions were employed to make certain complexes. Metal analysis M percent, elemental chemical analysis (C.H.N.S), and other standard physico-chemical methods were used. Magnetic susceptibility, conductometric measurements, FT-IR and UV-visible Spectra were used to identified. Theoretical treatment of the generated complexes in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (ΔH˚f), binding energy (ΔEb), an
... Show MoreBeta-irradiation effects on the microstructure of LDPE samples have been investigated
using Positron Annihilation Lifetime Technique (PALT). These effects on the orthopositronium
(o-Ps) Lifetime t3, the free positron annihilation lifetime 2 t , the free-volume
hole size (Vh) and the free volume fraction (fh) were measured as functions of Beta
irradiation - dose up to a total dose of 30.28 kGy.
The results show that the values of t3, Vh and fh increase gradually with increasing Beta
dose up to a total dose of 1.289 kGy, and reach a maximum increment of 17.4%, 32.8% and
5.86%, respectively, while t2 reachs maximum increment of 211.9% at a total dose of 1.59
kGy. Above these doses, the values show nonlinear changes u
In this paper, the density of state (DOS) at Fe metal contact to Titanium dioxide semiconductor (TiO2) has been studied and investigated using quantum consideration approaches. The study and calculations of (DOS) depended on the orientation and driving energies. was a function of TiO2 and Fe materials' refractive index and dielectric constant. Attention has focused on the effect of on the characteristic of (DOS), which increased with the increasing of refractive index and dielectric constant of Fe metal and vice versa. The results of (DOS) and its relation with and values of system have been discussed. As for contact system is increased, (DOS) values increased at first, but the relation is disturbed later and transforms into an inve
... Show MoreTheoretical studies of electronic transition characteristics of senstizer molecule dye N3-SnO2 semiconductor interface. Available from: https://www.researchgate.net/publication/362773032_Theoretical_studies_of_electronic_transition_characteristics_of_senstizer_molecule_dye_N3-SnO2_semiconductor_interface [accessed May 01 2023].
Complexes ofCo(ll),Cu(||),Ni(||),pt(|| ),and pd(||) with N3O-chelating Ligand Incorporating Azo and Shiff Base Moieties ;synthesis, spectroscopic ,Thermal Decomposition Theoretical
Silver-bismuth iodide (ABI) ternary semiconductors, such as AgBi2I7, AgBiI4, Ag2BiI5, and Ag3BiI6, have emerged as promising lead-free light absorbers for photovoltaic applications due to their favorable optoelectronic properties. Despite recent advances that have improved power conversion efficiencies from ∼1% to over 5%, ABI-based solar cells still show substantial open-circuit voltage (VOC) losses of up to ∼1 V, which significantly hinder the device performance. These losses have been experimentally attributed to the non-radiative recombination originating from intrinsic defects, however, theoretical understanding of these defect mechanisms remains limited. Here, using density functional theory calculations, we systematical
... Show MoreEstimations of average crash density as a function of traffic elements and characteristics can be used for making good decisions relating to planning, designing, operating, and maintaining roadway networks. This study describes the relationships between total, collision, turnover, and runover accident densities with factors such as hourly traffic flow and average spot speed on multilane rural highways in Iraq. The study is based on data collected from two sources: police stations and traffic surveys. Three highways are selected in Wassit governorate as a case study to cover the studied locations of the accidents. Three highways are selected in Wassit governorate as a case study to cover the studied locations of the accidents. The se
... Show MoreThe purpose of this paper is to study the properties of the
partial level density ( ) l g and the total level density g ( ),
numerically obtained as a l sum of ( ) l g up to 34 max l , for
a Harmonic – Oscillator potential well. This method applied the
quantum – mechanical phase shift technique and concentrated
on the continuum region. Also a discussion of peculiarities of
quantal calculation for single particle level density of energy –
dependent potential