Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on

Baghdad:

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 condit

The effect of number of pulses of pulsed laser on materials is studied analytically, different pulses has been used with the same delay time.  The depth of possible damage to the surface of copper and titanium as well as depth of the crater to both materials were considered in this study.  The study revealed that linear model is only possible when estimating depth of possible damage for copper material, this means that the depth of possible damage increases with the increment of number of laser pulses .As for titanium material, it is found  the relationship is nonlinear.  The depth of possible damage of titanium and copper is not the same, and copper seems to be more predictable than titanium.  
 

to evaluate the effect of various Nd:YAG frequency doubled laser parameters on the acid
dissolution and the progression of in vitro caries like lesions in human enamel.
Materials and Methods: Human extracted caries free upper first premolar teeth were collected for
this study. The irradiated teeth were divided into two groups. The first group was irradiated with
continuous Nd:YAG laser radiation, and the second group was irradiated with chopped Nd:YAG laser
radiation. For the first group, power and exposure time were changed while for the second group
power and number of pulses were changed. The spot diameter was kept constant for all the samples.
Results: using 1.5 W and 3 seconds (exposure time), best results among

This paper presents the effect of relativistic and ponderomotive nonlinearity on cross-focusing of two intense laser beams in a collisionless and unmagnetized plasma. It should be noted here that while considering the self-focusing due to relativistic electron mass variation, the electron ponderomotive density depression in the channel may also be important. Therefore/these two nonlinearties may simultaneously affect the self-focusing process. These nonlinearities depend not only on the intensity of one laser but also on the second laser. Therefore, one laser beam affects the dynamics of the second beam and hence the process of cross-focusing takes place. The electric field amplitude of the excited electron plasma wave (EPW) has been cal

In humans, Pseudomonas aeruginosa is the second most frequent gram negative nosocomial pathogen in hospitals and has the highest case-fatality rate of all hospital-acquired bacteremia because of the hardy resistance of these bacteria to mechanical cleansing as well as to disinfectant, and many antibiotics. The susceptibility of bacteria against the antibiotics is modulated by several local factors such as temperature which modified drug efficacy, so this study was carried out to evaluate the effect of different temperature (20,42,45)Ċon the susceptibility of Pseudomonas aeruginosa to the minimum inhibitory concentrations (MIC) of the antimicrobial agents before and after irradiation. The samples collected from 150 persons suffering from

    Soft clays are generally characterized by low shear strength, low permeability and high compressibility. An effective method to accelerate consolidation of such soils is to use vertical drains along with vacuum preloading to encourage radial flow of water.  In this research numerical modeling of prefabricated vertical drains with vacuum pressure was done to investigate the effect of using vertical drains together with vacuum pressure on the degree of saturation of fully and saturated-unsaturated soft soils.  Laboratory experiments were conducted by using a specially-designed large consolidometer cell where a central drain was installed and vacuum pressure was applied. All tests were conducted