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 ...

in this study reference as one of the five cohesive devices in the achievement of textuality in english and persian narrative/descripitive written texts is focused on and analysed . to do so , the theoretical framework elaborated by halliday and hasan (1976) and its version adapted by the writer to match the sub-types of reference in farsi are applied to the analysis of reference in english and...

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...

some new water-soluble schiff base complexes of na2[m(5-so3-1,2-salophen)].nh2o; (5-so3-1,2-salophen = n,n’-bis(5-sulphosalicyliden)-1,2-phenylendiamine); na2[m(5-so3-2,3-salpyr)(h2o)n].2h2o; (5-so3-2,3-salpyr = n,n’-bis(5-sulphosalicyliden)-2,3-diaminopyridine); and na2[m(5-so3-3,4-salbenz)(h2o)n].nh2o; (5-so3-3,4-salbenz = n,n’-bis(5-sulphosalicyliden)-3,4-diaminobenzophenon); where m = cu, n...

a one dimensional dynamic model for a riser reactor in a fluidized bed catalytic cracking unit (fccu) for gasoil feed has been developed in two distinct conditions, one for industrial fccu and another for fccu using various frequencies of microwave energy spaced at the height of the riser reactor (fccu-mw). in addition, in order to increase the accuracy of component and bulk diffusion, instanta...

abstract amino acids are building blocks of proteins, and play a vital role in living beings existence and their functionality. the interaction of these compounds with metal ions is of great importance to biochemists, and chemists, because their functions can be utilized as a model in understanding enzymes mechanism for transport of metal ions to tissues. among twenty essential amino acids w...

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...

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 ...

this research is about the political economy of china in central asia. in this research the political & economic interactions affected on chinas political economy in central asia are examined. chinas goal of presence in central asia including political-security, economic and energy goals is described in one part. in another part, the trade relations between china and central asian countries ar...

this study aims to investigate value conflicts between mothers and their daughters among families and influential factors on this conflict in yazd city. this study adopted a survey method and a questionnaire was used that its validity through construct validity (factor analysis) and its reliability by cronbach alpha were measured. the population of this study consists of all yazdian families th...