نتایج جستجو برای: nano structures of fullerene c30
تعداد نتایج: 21196049 فیلتر نتایج به سال:
In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...
Closed caged fullerene-like molybdenum disulfide (MoS2) nano-particles were obtained via an arc discharge between a graphite cathode and a molybdenum anode filled with microscopic MoS2 powder submerged in de-ionized water. A statistical study of over 150 polyhedral fullerene-like MoS2 nano-particles in plan view transmission electron microscopy revealed that the majority consisted of 2–3 layers...
thermal barrier coatings (tbcs) are used to provide thermal insulation to the hot section components of gas turbines in order to enhance the operating temperature and turbine efficiency. hot corrosion and thermal shocks are the main destructive factors in tbcs which comes as a result of oxygen and molten salt diffusion into the coating. in this thesis atmospheric plasma spraying was used to dep...
Purpose: To evaluate the effect of fullerene on chemical properties of naphazoline drug in water by density functional theory (DFT) methods. Materials and Methods: Naphazoline belongs to the imidazoline class of sympathomimetics. The present study on naphazoline drug and its fullerene connected form were carried out using computerized calculations of Gaussian program in b3lyp/6-31g le...
This study examines the biological effects of water-soluble fullerene aggregates in an effort to evaluate the fundamental mechanisms that contribute to the cytotoxicity of a classic engineered nanomaterial. For this work we used a water-soluble fullerene species, nano-C60, a fullerene aggregate that readily forms when pristine C60 is added to water. Nano-C60 was cytotoxic to human dermal fibrob...
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...
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...
Recent research interest in phytochemicals has consistently driven the efforts in the metabolic engineering field toward microbial production of various carotenoids. In spite of systematic studies, the possibility of using C30 carotenoids as biologically functional compounds has not been explored thus far. Here, we generated 13 novel structures of C30 carotenoids and one C35 carotenoid, includi...
in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...
In this study explosive substance [2.4.6] three Nitro Toluene (TNT) was attached with nanostructures of fullerene (C24) and boron nitride nano-cages (B12N12). After that using B3LYP (Becke, three-parameter, Lee-Yang-Parr), a method from density functional theory (DFT), thermodynamic parameters of TNT with foregoing nanostructures, in different conditions of temperature, were computed. To this a...
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