Franck-Condon factors (FCF), which are proportional to peak intensities, were calculated as the square of the overlap between the initial and final state wavefunctions in order to calculate of molecule Be9Cl35 their overlap using numerical Integration for the vibrational band (′v =0 - 4) to (v″=0 –4) of the electronic transition A 2Π - Χ 2 Σ and by using an appropriate Potential for each of them .for vibrational ground and first excited states.this new vibrational level must be instantaneously compatible with the nuclear positions and momenta of the vibrational level of the molecule in the originating electronic state. In the semiclassical picture of vibrations (oscillations) of a simple harmonic oscillator, the necessary conditions can occur at the turning points, where the momentum is zero. This leads to, in general, an increase in the "allowed'' vibronic transitions and hence greatly influences the observed spectrum. For all but the simplest models for the electronic potentials, one must resort to a numerical calculation of the observed spectrum.
The A2?u-X1?g+ emission band system of 7LiH1 molecule has been calculated for Lambda doubling. The relation between wave number ?p , ?Q , ?R conducted the energies of the state of rotation F (J), and (J + 1) with rotational quantum number J, respectively, of 7LiH1 molecule for statehood A2?u using the rotation, fixed vibrational states of both the ground and raised crossovers vibrational against ???= 0 to V ' = 0-4using rotational levels J = 0 to J = 20 have found.
The energy expectation values for Li and Li-like ions ( , and ) have been calculated and examined within the ground state and the excited state in position space. The partitioning technique of Hartree-Fock (H-F) has been used for existing wave functions.
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 (re, Be, De, , , Te , 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
... Show More
(3)
(4)
Synthetic anti-TB drugs are being used to treat tuberculosis (TB) as they are effective, however, they are accompanied by many side effects. The disease has remained largely uncured till date. The use of plant extracts or phytochemicals along with the anti-TB drugs is a very attractive strategy to make the treatment more effective as phytochemicals have no side-effects, are much less toxic than synthetic anti-TB drugs, are safe to use and most importantly, do not produce resistant strains as opposed to synthetic anti-TB drugs. Approximately 420,000 plant species have been identified globally and among them only a few have been explored for their therapeutic potential. Traditional medicine in different parts of the world has employed crud
... Show More
(1)
numerical study is applied to the mercury-argon mixture by solving the boltzman transport equation for different mixture percentage.
Background: the exposure of chronic lymphocytic leukemia (CLL) cells to fludarabine and cyclophosphamide resulted in an increased, synergistic cytotoxicity . DNA repair mechanisms in CLL cells, which are initiated in response to cyclophosphamide exposition, are inhibited by fludarabine. This observation was later translated into clinical trials evaluating the combination of fludarabine plus cyclophosphamide (FC) showed promising efficacy with response rates exceeding 90% in previously untreated and pretreated patient
Aim of this study: To assess the efficacy and safety of combination therapy of fludarabine plus cyclophosphamide in Iraqi adults patients with advance stage of chro
... Show More
This research presents results on the full energy peak efficiency of a high purity germanium (HPGe) detector from point source as a function of photon energy and source-detector distance. The directions of photons emitted from the source and the photon path lengths in the detector were determined by Monte Carlo technique. A major advantage of this technique is the short computation time compared to the experiments. Another advantage is the flexibility for inputting detector-related parameters (such as source–detector distance, detector radius, length and attenuation coefficient) into the algorithm developed, thus making it an easy and flexible method to apply to other detector systems and configurations. It has been designed and writte
... Show More