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...

the quest for power has formed much of the world history especially in 20th and 21st centuries. oil (energy) particularly after industrial revolution has been a tool for conquest and power and has been transformed to a geopolitical issue. from a geopolitical point of view this has been the case for the last two centuries in central asia and caucasus. central asia and caucasus has always been...

the present research was conducted to accomplish two purposes. firstly, it aimed to explore and describe schematic structure or what halliday and hassan (1989, p.64) have called “generic structure potential” (gsp) of american english, iranian persian and iranian english newspaper editorials within systemic functional linguistics. secondly, a quantitative cross-comparison was made to investigate...

abstract: in the paper of black and scholes (1973) a closed form solution for the price of a european option is derived . as extension to the black and scholes model with constant volatility, option pricing model with time varying volatility have been suggested within the frame work of generalized autoregressive conditional heteroskedasticity (garch) . these processes can explain a number of em...

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 ...

the present study aimed at exploring cognitions of iranian english teachers within the context of english for academic purposes (eap). to this end, the cognitions of two groups of eap teachers with respect to their pedagogical content knowledge (pck) and their sense of professional identity (pi) were probed. two language teachers and two content instructors who had at least five years of eap te...

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 ...

reinsurance is widely recognized as an important instrument in the capital management of an insurance company as well as its risk management tool. this thesis is intended to determine premium rates for different types of reinsurance policies. also, given the fact that the reinsurance coverage of every company depends upon its reserves, so different types of reserves and the method of their calc...

1.1 introduction “i see translation as the attempt to produce a text so transparent that it does not seem to be translated. a good translation is like a pane of glass. you only notice that it’s there when there are little imperfections- scratches, bubbles. ideally, there shouldn’t be any. it should never call attention to itself.” “norman shapiro” (venuti, 1995:1) edward fitzgerald is the br...

in this thesis, we exploit a simple and suitable method for immobilization of copper(ii) complex of 4?-phenyl-terpyridine on activated multi-walled carbon nanotubes [amwcnts-o-cu(ii)-phtpy]. this nanostructure was characterized by various physico-chemical techniques. to ensure the efficiency and fidelity of copper species, the implementation of three-component strategies in click-chemistry all...