نتایج جستجو برای: activated free energies of electron transfer

تعداد نتایج: 21281656  

Journal: :journal of physical and theoretical chemistry 0
avat (arman) taherpour - leila fathiyan -

the binding, release and oxidation of oxygen occur at the heme group iron ion. hemoglobinoxidation-reduction studies have been previously performed using spectroelectrochemistry (sec) andhave provided insight into the hemoglobin electron transfer process and more specifically, into theheme group electronic factor and subunit interaction influences. in this study, the number of fullerenecarbon a...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

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...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1392

a novel acrylic acid-functionalized fe3o4 magnetic nanoparticle with a core-shell structure was developed for utilization as a heterogeneous organosuperacid in chemical transformations. the structural, surface, and magnetic characteristics of the nanosized catalyst were investigated by various techniques such as transmission electron microscopy (tem), thermogravimetric analysis (tga), and ft-ir...

Journal: :international journal of environmental research 2014
b.m. jung b. batchelor j.y. park a. abdel-wahab

the present study is to study linear free energy relationships (lfers) for dechlorination ratesin cement/fe(ii) slurries of eight chlorinated hydrocarbons including carbon tetrachloride, chloroform produced from carbon tetrachloride, 1,1,1-trichloroethane, trichloroethylene produced from 1,1,2,2-tetrachloroethane, tetrachloroethylene, trichloroethylene, 1,1-dichloroethylene, and vinyl chloride,...

In this study, reactions of the simple cycloalkynes with substituted Nitrile Oxides, by DFT method will be discussed. The investigation of the structural properties, theoretical thermodynamic and kinetic data, i.e., the activation free energies(DG*), the free energies changes of reaction(DrG) and rate constants of the reactions (k) in 298 K and effects of Electron-withdrawing and...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه ارومیه - دانشکده علوم 1391

nanotechnology is a general term which is related with field of all advanced science term that generally predicates with all modern technologies which consider nanoscales. improvement in the quality of products by adding some nanoparticles and study of their behavior in the presence of these nanoparticles have been obtained in many researches. on the other hand numerous demands for sowing ...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه صنعتی اصفهان - دانشکده شیمی 1389

in this thesis, phosphorus ylides [phbppy], [no2bppy] and [brbppy] have been synthesized through the formation of phosphonium salt and dihydrogenation, followed by the reaction of pd(oac)2 and the orthopalladated dinuclear complexes [pd(?-cl)(phbppy)]2, [pd(?-cl)(no2bppy)]2 and [pd(?-cl)(brbppy)]2 have been produced. the reaction of dinuclear complexes and bidentate ligands [l = bipy (2,2-bipyr...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1391

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...

In this paper, a free-electron laser (FEL) growth rate with a laser wiggler in which plasma background is used to generate short wavelengths in x-ray regimes, has been investigated theoretically. A linearly polarized laser pulse, due to having short wiggler periods (inrange) is able to produce coherent radiations in x-ray regions and can be applied as a planar wiggler in a FEL. Phase velocity o...

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