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...

abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...

abstract the third millennium has started, but the world is facing with serious challenges in achieving international security and peace. various human rights violations have lead the states to find means to protect human rights. also article 55 of the united nations charter introduces the respect to human rights and fundamental freedom as the most suitable ways to realize peace and security. ...

most of the verbal constructions of harzani dialect have got inflectional affixes. the majority of the constructions are made up vy adding a specific verbal affix to the verbal stem (infinitive without infinitive marker). only a few number of them is formed by adding a verbal affix to the past participle of the verb. there are specific rules for the formation of different verbal types. there is...

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...

while performance-based language assessment has led to an increased authenticity and content validity in the practice of writing assessment, the reliability of ratings has become a major issue. research findings have shown different reactions by native english speaker (nes) and non-native english speaker (nns) teachers to students’ writings. the focus of this study is on investigating whether i...

target tracking is the tracking of an object in an image sequence. target tracking in image sequence consists of two different parts: 1- moving target detection 2- tracking of moving target. in some of the tracking algorithms these two parts are combined as a single algorithm. the main goal in this thesis is to provide a new framework for effective tracking of different kinds of moving target...

nowadays enhancing critical thinking in learners is considered one of the foreign language teachers’ tasks due to its high position in foreign language classrooms. when it comes to selecting materials for language classrooms, there are obviously some criteria that teachers should apply. the present study aimed at a critical thinking based analysis of ten picture story books and ten folktales th...

cohesion is an indispensable linguistic feature in discourse analysis. lexicald such a differe cohesion and conjunction in particular as two crucial elements to textual cohesion and comprehension has been the focus of a wide range of studies up to now. yet the relationship between the open register and cohesive devices has not been thoroughly investigated in discourse studies. this study concen...

abstract: advertisements are the most accessible type of authentic materials, and this is one reason why they are used more and more in english teaching classes. for this cause, studies in the field of advertisements are very widespread nowadays. for pun is one aspect which makes advertisements more interesting, it is used more than before in advertisements. use of puns makes an advertisement m...