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 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 ...

it is definitely necessary to understand the concept and behavior of causation of life insurance policies and its determinants for insurance managers, regulators, and customers. for insurance managers, the profitability and liquidity of insurers can be increasingly influenced by the number of causation through costs, adverse selection, and cash surrender values. therefore, causation is a materi...

abstract venlafaxine, 1–[2–(dimethylamino)–1–(4–methoxyphenyl) ethyl]cyclohexanol hydrochloride is a novel non-tricyclic antidepressant. venlafaxine is a second generation antidepressant drug, has a neuropharmacologic profile distinct from that of existing antidepressants including tricyclic compounds, selective serotonin reuptake inhibitors and monoamine oxidase inhibitors. venlafaxine impart...

‏‎the main purpose of this research was to:1.develop a coking model for thermal cracking of naphtha.2.study coke inhibition methods using different coke inhibitors.developing a coking model in naphtha cracking reactors requires a suitable model of the thermal cracking reactor based on a reliable kinetic model.to obtain reliable results all these models shall be solved simultaneously.for this pu...

worship is submission and humitility with believe to divinity in fornt of god. in jewish religion ,worship is submission of the god inall the ordes and devosion tohim .worshio is not only so widely in islam and jew and does not include pray and fast and etc but also is every action that human does with divine intention and to content him. worship has huge and excellent rank in qoran and old te...

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...

in this thesis, we exploit a simple and suitable method for immobilization of copper(ii) complex of 4?-phenyl-terpyridine on activated multi-walled carbon nanotubes [amwcnts-o-cu(ii)-phtpy]. this nanostructure was characterized by various physico-chemical techniques. to ensure the efficiency and fidelity of copper species, the implementation of three-component strategies in click-chemistry all...

after the soviet union dissolution, a chaotic period was begun in the russia. russia lost its glory and felt disgrace. the first group of elites came to power under yeltsin; they tried to re-define russia’s identity as a european country and build a foreign policy on this baseline. therefore russia tried to become closer with the west especially with the u.s. according to their view the sovie...

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...