نتایج جستجو برای: Chemical potential
تعداد نتایج: 1394289 فیلتر نتایج به سال:
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...
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...
in this research at the first, captopril drug (ca) and its fullerene connected form (fca) wereoptimized. natural bond orbital (nbo) calculations for these compounds were carried out at theb3lyp/6-31g quantum chemistry level, in the gas phase and the liquid phase. these calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. forinstance, densi...
in this research at the first, xylometazoline hydrochloride drug (xy) and its fullerene connected form (fxy) were optimized. natural bond orbital (nbo) calculations for these compounds were carried out at the b3lyp/6-31g* quantum chemistry level, in the gas phase and the liquid phase. these calculations can be performed at different accuracy levels depending on the aim of the theoretical study....
one of the most commonly used techniques to reduce the corrosion rate of rebar in concrete is addition substances named corrosion inhibitors into the concrete. corrosion inhibitor is chemical compounds that were added to concrete to prevent corrosion of steel in concrete. sodium nitrate is a type of anodic inhibitors that this study investigatesthe effect of this inhibitor on the properties of ...
In this study, the effect of fullerene electron mobility on the composition of paraphenylenediamine and stability was studied. Using quantum chemistry calculations, the first combination of paraffenylenediamine in a single-full-time region connected with fullerene through carbon atoms was reported. Experimental research was simulated and optimized using GIS software. Then the NBO calculations w...
in this research at the first enalapril drug and its fullerene derivative were optimized. nbo calculations and nmr for the complexes were carried out at the b3lyp/6-31g* quantum chemistry level. different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of homo/lumo, chemical potential (µ ), chemical hardness (η), the coefficients of hybrid bonds (π,...
In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...
We show how to include a chemical potential µ in perfect lattice actions. It turns out that the standard procedure of multiplying the quark fields Ψ, ¯ Ψ at Euclidean time t by exp(±µt), respectively, is perfect. As an example, the case of free fermions with chemical potential is worked out explicitly. Even after truncation, cutoff effects in the pressure and the baryon density are small. Using...
In this study, on the combination of chlorpromazine with two aromatic rings, halogens are attached to the rings, and changes in the angles and lengths of the ipsos are calculated. Calculations show that by changing the halogen based on the amount of electronegativity, the magnitude and variation of the angular lengths The lengths of the links also change in the following order. The angles of th...
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