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 investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...

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...

this research is about the political economy of china in central asia. in this research the political & economic interactions affected on chinas political economy in central asia are examined. chinas goal of presence in central asia including political-security, economic and energy goals is described in one part. in another part, the trade relations between china and central asian countries ar...

Abstract: In traditional generation systems, energy from fuel is simply converted into electrical energy, while in the combined heat and power (CHP) systems, fuel energy, in addition to generating electricity, also generates thermal energy. Therefore, the efficiency of these systems is considerably higher than traditional systems, and this justifies the need for CHP systems. The emergence of CH...

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 ...

abstract birbery and corruption and other criminal and as such is one of social phenomena , and i can firmly say that society is protected and safe from harm , this is criminal . eache community is familiar with these crimes and the crime associated ( direct or indirect ) with the political economic , social , and cultural beliefs and religious issues , especially with the community . admitted...

چکیده تمام نما مقدمه: این تحقیق برای بررسی میزان خلاقیت و عناصر آن (انعطاف- سیالی- ابتکار و بسط) در کارشناسان فوق برنامه های تربیت بدنی دانشگاههای تهران صورت گرفته است. بطور کلی خلاقیت به معنای توانایی تولید اندیشه ها و ایده های جدید و ترکیب آنها با یکدیگر و بیشتر در جنبه های فکری نظری و به اصطلاح فعالیتهای ذهنی و طراحی قبل از عمل به کار می رود و دارای چهار عنصر به شرح زیر می باشد. 1- سیالی...

abstract due to the growing importance and influence of the self of the teacher in the field of educational and cognitive psychology, the current study intended to investigate the relationship between three teacher qualities and characteristics, i.e. teacher self efficacy, self regulation, and success as perceived by their learners. the study aimed at finding whether teacher self efficacy an...

seismic retrofit strategies have been developed in the past few decades following the introduction of new seismic provisions and the availability of advanced materials and methods. it can be observed that new approaches to deal with more lateral forces are more innovative and more energy absorbent. in line with this, there is a growing trend toward the use of steel shear walls as a system with ...