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...

recent years have witnessed an increased attention to form focused instruction and consciousness raising activities (ellis, 2002; doughty & williams, 1998) on the one hand and extensive and meaningful exposure to the target language (klapper & rees, 2003; day & bamford, 1998) on the other. due to significance attributed to above mentioned issues by scholars, this study attempted to bridge them ...

within the components of communicative competence, a special emphasis is put on the “rules of politeness,” specifically the politeness strategies (brown and levinson, 1978) that speakers deploy when performing the request speech act. this is because the degree of imposition that making a request places upon one’s interlocutor(s) has been seen to be influenced by several factors among which, as ...

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...

the major aim of this study was to investigate the relationship between iq, eq and test format in the light of test fairness considerations. this study took this relationship into account to see if people with different eq and iq performed differently on different test formats. to this end, 90 advanced learners of english form college of ferdowsi university of mashhad were chosen. they were ask...

a semi-empirical mathematical model for predicting physical part of ignition delay period in the combustion of direct - injection diesel engines with swirl is developed . this model based on a single droplet evaporation model . the governing equations , namely , equations of droplet motion , heat and mass transfer were solved simultaneously using a rung-kutta step by step unmerical method . the...

abstract: research purpose: the purpose of this research is to identify academic databases assessment factors and criteria at law and political science majors. the necessity of this research is to distinguish academic databases assessment factors and criteria and to identify the most important ones and rank them in order to select an appropriate database according to students’ and faculty memb...

there is no doubt that human being needs to become integrated with industry and industry needs to be progressed, daily. on the other hand, serious events in industrial units specially in oil industries has been shown that such damages and events are industry related ones. the consequence of such events and damages which resulted in chemical and poisoned explosions and loss of life and property ...

according to coates’s (2004, as cited in zhang, 2010) definition of "conversational dominance" (p.111), it refers to the phenomenon of a speaker dominating others in interaction. specifically, it means how a speaker makes use of certain strategies to get the floor and maintain the floor. thus, the amount of talk is the main measurement for the dominance of the conversation. whether a speaker do...

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 ...