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...

among the low–dimensional allotropes of carbon, nanotubes and graphene have attracted very much attention from nano–science and nanotechnology specialists. they have been proposed as building blocks in nanometer device engineering. however, these structures are not defect–free. in this thesis, we focused on defective carbon nanotubes and graphene, and studied the effect of couple of very common...

abstract this quasi-experimental study was aimed at examining the impact of storyline complexity on the grammatical accuracy and complexity of advanced and intermediate efl learners. a total of 65 advanced and intermediate efl learners were selected from iran language institute (ili). an intact group including 35 intermediate participants and another intact group with 30 advanced participants ...

this thesis basically deals with the well-known notion of the bear-invariant of groups, which is the generalization of the schur multiplier of groups. in chapter two, section 2.1, we present an explicit formula for the bear-invariant of a direct product of cyclic groups with respect to nc, c>1. also in section 2.2, we caculate the baer-invatiant of a nilpotent product of cyclic groups wuth resp...

the rise and stublishment of safavid dynasty was depend on triangle of tasavof, tashayo and royalty, kings legitimized their power upon these. therefore for the understanding the functions of that period we must explore the role of this elements. although application and emphsise upon dignities such as; complete mentor (morshede kamel), deputy of absent imam (nayebe imame ghayeb), and god’s sha...

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 ...

due to the limiting workspace of parallel manipulator and regarding to finding the trajectory planning of singularity free at workspace is difficult, so finding a best solution that can develop a technique to determine the singularity-free zones in the workspace of parallel manipulators is highly important. in this thesis a simple and new technique are presented to determine the maximal singula...