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...

the aim of this paper is eliminating cr(vi) by natural hap. hap is a inexpensive material which is used from bovine critical bone ash in order to remove heavy metal ions like cr(vi). some experiments in different ph are performed (ph=2,3,7). maximum adsorption was appeared at ph=2, dosage=0.3 gr, c0=10 mg/l. cr(vi) removal depends on ph value and initial amount of cr(vi) result of experiments w...

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...

in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...

this thesis is presented 10 ghz voltage controlled ring oscillator for high speed application. the voltage controlled ring oscillator was designed and fabricated in 0.13یm cmos technology. the oscillator is 7-stages ring oscillator with one inverter replaced by nand-gate for shutting down in the ring oscillator during idle mode. tri-state inverter was used to control of 126 bit vector in ri...

abstract: one of the most visited & important spaces in different countries by tourist are urban areas. the old tehran which major part is located in district 12 is historical showcase of the capital, but, its hiidden cultural attraction is not used as it should be. this thesis occasionally engage in studying the efficacy of correct installation of travel guide boards in welfare & easily acc...

abstract in aggregate, active forms of reactive silica with mineral names are sometimes associated with sand and gravel in concrete mixture. alkali hydroxides originated from alkalis in the cement or other resources form an alkaline silica gel with this reactive silica which becomes swallowed and expanded during time causing damage to concrete. there have been growing researches on alkaline r...

abstract objectives gradual increase length and complexity of utterance (gilcu) therapy method is a form of operant conditioning. this type of treatment is very precise and controlled that is done in 54 steps in 3 speech situations consisted of monologue, reading and conversation. this study aimed to examine the effects of gilcu treatment method on reduction of speech dysfluency of school-age...