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...

section{introduction} the concept of {sl cartan geometry} appeared at the beginning of the twentieth century, when {e}lie cartan was working on the so-called {sl equivalence problem}, the aim of which is to determine whether two given geometric structures can be mapped bijectively onto each other by some diffeomorphism. this problem can be considered in many different contexts, such as ...

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...

in the first part of this thesis we explored wetting and its dynamics for small droplets. first, we showed how a simple feature of water droplets on a surface, i.e. laplace pressure, can be exploited to build a micropump. we investigated capillary pumping in microchannels both experimentally and numerically. putting two droplets of different sizes at the in/outlet of a microchannel, will ge...

in the name of allah , the compassionate the merciful abstract shath ( blasphemic utterace made during spiritual ) is a complicated concept that deserves reflection in gnosticism and sufism ( mysticism ) and estem and westem scholars have alwaya paid attention to it. although principal essence of gnostic belief is the holy divine law ,gnosticism has pure and unique thoughts . by glancing at t...

the present research has been deducted from a provincial research project which aims at determining the relationship of variables of variables of occupational self-concept, intelligence beliefs and metacognitive with entrepreneurship among the students of payame noor university of kurdistan. the volume of the samples was 1080 students (576 female and 504 male students). the research methodology...

we commence by using from a new norm on l1(g) the -algebra of all integrable functions on locally compact group g, to make the c-algebra c(g). consequently, we find its dual b(g), which is a banach algebra so-called fourier-stieltjes algebra, in the set of all continuous functions on g. we consider most of important basic theorems about this algebra. this consideration leads to a rather com...

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...

bekenstein and hawking by introducing temperature and every black hole has entropy and using the first law of thermodynamic for black holes showed that this entropy changes with the event horizon surface. bekenstein and hawking entropy equation is valid for the black holes obeying einstein general relativity theory. however, from one side einstein relativity in some cases fails to explain expe...

in this thesis we will present three topics. we define approximate fixed points in fuzzy normed spaces. also we obtain some necessary and sufficient conditions on the existence of? -fixed points for ? > 0. at the continue some results about approximate fixed points for a class of non-expansive maps on g-metric spaces are obtained and we define approximate fixed points in partial metric spa...