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 ...

attempts have been made to study the thermodynamic behavior of 1,3 butadiene purification columns with the aim of retrofitting those columns to more energy efficient separation schemes. 1,3 butadiene is purified in two columns in series through being separated from methyl acetylene and 1,2 butadiene in the first and second column respectively. comparisons have been made among different therm...

abstract: the present study is about prophet ishmael, some parts of his life; his personality in the quran and the bible; and the comparison of the content of these two religious books. compilation of the study has been done with a new perspective and new presentation approach. since prophets have been human beings’ role model and their life has been a perfect example for humanity in all ages,...

heteropoly acids (hpa) and their salts have advantages as catalysts which make them both economically and environmentally attractive, strong br?nsted acidity, exhibiting fast reversible multi-electron redox transformations under rather mild conditions, very high solubility in polar solvents, fairly high thermal stability in the solid states, and efficient oxidizing ability, so that they are imp...

during 2010-2011 a faunistic survey was carried out for collection and identification of edaphic mesostigmatic mites (acari: mesostigmata) in jiroft and suburb. mites were extracted from soil samples by berlese funnel. the mites were cleared in nesbit fluid and were mounted in hoyer medium on microscopic slides. in this study 43 spices from 26 genera and 16 families were collected and identifie...

in the name of allah , the compassionate the merciful abstract shath ( blasphemic utterace made during spiritual ) is a complicated concept that deserves reflection in gnosticism and sufism ( mysticism ) and estem and westem scholars have alwaya paid attention to it. although principal essence of gnostic belief is the holy divine law ,gnosticism has pure and unique thoughts . by glancing at t...

determination of uranium in natural water and complex solutions using ion exchange chromatography: a combined procedure using ion exchange chromatography and uv-vis spectrophotometry techniques has been developed to measure uranum in natural water and complex solutions. after conditicing , one hundred milli liters of sample solutions have been passed through an ion exchange column,pachked with ...

in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...