in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

asymmetric membranes are widely used in many industrial membrane separation processes. the major advantage of membrane filtration over the conventional process is its ability to remove a wider spectrum of particles without using any chemicals. hollow fiber configuration offer many advantages over flat-sheet or tubular membranes. the spinning process of hollow fiber may look simple, yet it is te...

abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...

in this study, scour of mashkid bridge pier located in mashkid river of saravan county has been studied and to measure the scour rate, the numerical model hec-ras 4.0 has been used. upon selection of mashkid river as the case study and whereas the studied zone is important with respect to the climatic conditions and showery monsoon raining and flowing the great and destructive floodwaters, ther...

in new management approaches, in the organizations with inflexible structure, existing of red tapes and interruptions caused by limitations and also non-compliance with environmental changes, create demotivation among staff. with regard to the influence of job motivational potential and its relationship to the type of organizational structure( enabling and dissuasive), the goal of this research...

the methods which are used to analyze microstrip antennas, are divited into three categories: empirical methods, semi-empirical methods and full-wave analysis. empirical and semi-empirical methods are generally based on some fundamental simplifying assumptions about quality of surface current distribution and substrate thickness. thses simplificatioms cause low accuracy in field evaluation. ful...

in recent years many researchers have been focused on interaction of small molecules with dna. dna is generally the primary intracellular of anticancer drugs, so the interaction between small molecules and dna can cause dna damage in cancer cells, blocking the division of cancer cells and resulting in cell death. the flavonoids are a large group of polyphenolic natural products that are widely ...

in this project, some new polyaspartimides, (pas)s, have been synthesized form michael addition reaction between new synthetic bismaleimide (bmi) and some aromatic diamines. a characteristic property of this polyaspartimides is a pendent carboxylic group, which introduced to these polymers from new bismaleimide. bismaleimides (bmi) is one of the interesting compounds, which can be self-polymeri...