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 chapter one we will describe definitions and preliminary results to provide the global context of our own results to be presented in detail in the subsequent chapters in chapter two we consider degree-one maps of the circle and we study their rotation set. our main result in this chapter says that if the map is topologically mixing then its rotation interval is nontrivial (that is, not reduc...

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 ...

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...

many mobile and off-grid devices include electronics and other electrical consumers like servo drives, which need a quite low supply power. since the price for photovoltaic modules drops continuously, photovoltaic power supply is interesting in more and more applications. in solar powered systems, a battery is needed to store energy for the night and cloudy periods. the power electronics of suc...

the purpose of this study is to investigate and explore the causes of identity crisis as one of the debilitating consequences of colonial project after the withdrawal of colonial power. in order to do justice to the full-length severity of displacement that was the fruit of indentureship, v. s. naipauls west indian epic, a house for mr biswas, has been scrutinized with the main focus being the ...

sange siyah dam is located two kilometers down the kabod khani village. the environ of ghorrve city in kurdestan province. this is an clay core dam. in this dam instrumentation is performed in three section and consist of electrical piezometers, total pressure cells, settlement cells and so on. the main objective of instrumentation is to control the behavior of dam body and foundation, end else...

fuzzy logic has been developed over the past three decades into a widely applied techinque in classification and control engineering. today fuzzy logic control is one of the most important applications of fuzzy set theory and specially fuzzy logic. there are two general approachs for using of fuzzy control, software and hardware. integrated circuits as a solution for hardware realization are us...

cement is an essential ingredient in the concrete buildings. for production of cement considerable amount of fossil fuel and electrical energy is consumed. on the other hand for generating one tone of portland cement, nearly one ton of carbon dioxide is released. it shows that 7 percent of the total released carbon dioxide in the world relates to the cement industry. considering ecological issu...

thermal barrier coatings (tbcs) are used to provide thermal insulation to the hot section components of gas turbines in order to enhance the operating temperature and turbine efficiency. hot corrosion and thermal shocks are the main destructive factors in tbcs which comes as a result of oxygen and molten salt diffusion into the coating. in this thesis atmospheric plasma spraying was used to dep...