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 ...

a major concern in the last few years has been the fact that the cultural centers are keeping distance with what they have been established for and instead of reproducing the hegemony, they have turned into a place for resistance and reproduction of resistance against hegemony. because the cultural centers, as urban public spaces in the last two decades, have been the subject of ideological dis...

in this thesis, a new optically active poly(amide-imide) (pai) was synthesized by the indirect polycondensation reaction of the l-phenylalanine based diacid chloride and 4,4?-diaminodiphenylether in the presence of triethylamine in n-methyl-2-pyrrolidone. the formation of pai was confirmed by ftir, 1h nmr and elemental analysis. in next step, the surface of titanium dioxide (tio2) nanoparticles...

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...

به طور کلی در فرآیندهای مارکوف ارگودیک دو بعدی یافتن فرم بسته توزیع ایستا، تنها برای حالات خیلی خاص امکان پذیر است. با توجه به این مشکل و نیز با توجه به اهمیت توزیع ایستا، بررسی و مطالعه رفتار مجانبی توزیع ایستای این فرآیندها مورد توجه قرار گرفته است. زنجیر قدم زدن تصادفی دو بعدی که در برخی متون به آن، فرآیند qbd دو طرفه نیز می گویند، یکی از این فرآیندها است. یک فرآیند qbd زمان گسسته یک زنجیر م...

پوششهای tbc یکی از جدیدترین و پیشرفته ترین پوششهایی است که امروزه در توربینهای گازی نیروگاهها و توربینهای هواپیماها استفاده می شود. این پوششها با ایجاد اختلاف دما در حدود 100 تا 150 درجه سانتیگراد، باعث افزایش عمر سوپرآلیاژهای قطعات داغ و نیز باعث صرفه جویی چشمگیری در مصرف سوخت نیروگاهها و هواپیماها می گردد. در این تحقیق، بحث و بررسی در مورد علل تخریب پوششهای tbc در لاینرها و قطعات transition p...

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

This paper aims to investigate transition paths and reasons of failure of Iran’s wind turbines industry in transition to sustainability successfully. In this regard, a qualitative approach and case study strategy have been used. For this purpose, based on type of national innovation system, the transition path and sustainability transition status of the wind turbines industry in selected countr...