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 extraordinary large amount of information and daily sharp increasing claimant for ui benefits and because of serious constraint of financial barriers, the importance of handling fraud detection in order to discover, control and predict fraudulent claims is inevitable. we use the most appropriate data mining methodology, methods, techniques and tools to extract knowledge or insights from ...

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 ...

abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...

abstract biometric access control is an automatic system that intelligently provides the access of special actions to predefined individuals. it may use one or more unique features of humans, like fingerprint, iris, gesture, 2d and 3d face images. 2d face image is one of the important features with useful and reliable information for recognition of individuals and systems based on this ...

abstract the present study deals with a comparison between reactive and pre-emptive focus-on-form in terms of application and efficiency. it was conducted in an intermediate english class in shahroud. 15 male learners participated in this research and their age ranged from 18 to 25. a course book, new interchange 3, and a complementary book were used. every session the learners gave lectures o...

to explore the idea the investingation proposed, aimed at finding whether the performances of the population of iranians students studying english in an efl context are consistent in l1 and l2 writing taks and whether there is a cross-linguistic transfer in this respect. in this regard the subjects were instructed to write four compositions-two in english and two in farsi-which consisted of an ...

as far as bandura’s (1977) conceptualization of the sense of self-efficacy is concerned, it is argued to be context- and even task-specific, compared to other concepts like self-esteem (brown, 2000); therefore, upon the previous research studies, related theories and definitions, and the ideas and views obtained from the interviews conducted with the scholars, the current research study aimed a...

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...

nowadays in trade and economic issues, prediction is proposed as the most important branch of science. existence of effective variables, caused various sectors of the economic and business executives to prefer having mechanisms which can be used in their decisions. in recent years, several advances have led to various challenges in the science of forecasting. economical managers in various fi...