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...

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 ...

nowadays, air pollution is a global problem that has had significant growth by technology development, population growth andindustrial development. industrial development brought natural resources deterioration, more manufacturing products, and more environmental pollutants. if pollutant won’t be controlled, human-being and wildlife will face the critical risks. significant release and critical...

Treated wastewater may influence soil structure, porosity and as a consequence, soil saturated hydraulic conductivity. This study aims to assess the effect of wastewater on saturated hydraulic conductivity; and to determine the suitable soil solids fractal dimension to incorporate into the pedotransfer function by Rawls et al (1993) for estimation of saturated hydraulic conductivity (Ks). Soi...

abstract ion selective electrodes (ises) are electrochemical sensors that respond selectivity to the activity of ionic species. an ion-selective electrode is an electrochemical device that uses a thin selective membrane or film as the recognition element, and is an electrochemical half-cell equivalent to other half-cells of the zeroth (inert metal in a redox electrolyte). in common methods o...

abstract: mineral scaling in oil and gas production equipment is one of the most important problem that occurs while water injection and it has been recognized to be a major operational problem. the incompatibility between injected and formation waters may result in inorganic scale precipitation in the equipment and reservoir and then reduction of oil production rate and water injection rate. ...

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...

abstract objectives gradual increase length and complexity of utterance (gilcu) therapy method is a form of operant conditioning. this type of treatment is very precise and controlled that is done in 54 steps in 3 speech situations consisted of monologue, reading and conversation. this study aimed to examine the effects of gilcu treatment method on reduction of speech dysfluency of school-age...

a novel and ultra low cost isfet electrode and measurement system was designed for isfet application and detection of hydronium, hydrazinium and potassium ions. also, a measuring setup containing appropriate circuits, suitable analyzer (advantech board), de noise reduction elements, cooling system and pc was used for controlling the isfet electrode and various characteristic measurements. the t...