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 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...

for a given riemannian manifold (m,g),it is an interesting question to study the existence of a conformal diffemorphism (also called as a conformal transformation) f : m ! m such that the metric g? = fg has one of the following properties: (i)(m; g?) has constant scalar curvature. (ii)(m; g?) is an einstein manifold.

vocabulary as a major component of language learning has been the object of numerous studies each of which has its own contribution to the field. finding the best way of learning the words deeply and extensively is the common objective of most of those studies. however, one effective way for achieving this goal is somehow neglected in the field. using a variety of activities such as games can r...

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...

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...