نتایج جستجو برای: nbo and nlo analysis
تعداد نتایج: 17270591 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...
We present a combined NLO QCD analysis to data on both inclusive and semi-inclusive polarized asymmetries. We also present the NLO corrections to the direct part of the polarized photoproduction of charged hadrons.
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...
the purpose of this study was to investigate the relationship between family functioning and marital adjustment humor couples are due to the nature and objectives of the research and application of methods for its implementation correlation was used. the study population consisted of all the couples in the city who uses random cluster sampling of 200 students were selected as sample. data from ...
Background: Shorter hospitalisation after childbirth raises new challenges in the transition to parenthood. Aim. This paper reports a study designed to identify first-time mothers’ experience with The Neonatal Behavioral Observation System (NBO) as a guiding model. Method: A phenomenological qualitative study sampling four first-time mothers who received guidance from the NBO-specialist nurse t...
abstract: country’s fiber optic network, as one of the most important communication infrastructures, is of high importance; therefore, ensuring security of the network and its data is essential. no remarkable research has been done on assessing security of the country’s fiber optic network. besides, according to an official statistics released by ertebatat zirsakht company, unwanted disconnec...
this study gives a rough notional method to find their textual placing and valuating in the text, narrows the board of vision to mystic items and finally lists the strategies used by the translators of mathnawi to present solutions for preserving the additional values. at last, as the sum-up, strategies in comparison would be presented. it should be noted that by extending the translations from...
The vibrational, electronic properties of 2-chloro-5-nitrobenzophenone (2C5NB) are explored experimentally, and theoretically (DFT) using B3LYP functional with LanL2DZ basis set. This has been performed for assignment vibrational frequencies that conjointly involves inserting beneficial evidence concerning the structure chosen compound. Based on PED, a comprehensive clarification FT-Infrared FT...
In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...
in this thesis, a new optically active poly(amide-imide) (pai) was synthesized by the indirect polycondensation reaction of the l-phenylalanine based diacid chloride and 4,4?-diaminodiphenylether in the presence of triethylamine in n-methyl-2-pyrrolidone. the formation of pai was confirmed by ftir, 1h nmr and elemental analysis. in next step, the surface of titanium dioxide (tio2) nanoparticles...
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