نتایج جستجو برای: theoretical study
تعداد نتایج: 4169010 فیلتر نتایج به سال:
tetrahedrane is most strained and the smallest cage compound. it attracts organic chemists because ofits unusual bonding nature and highly symmetrical structure. however, many efforts to isolate theparent tetrahedrane have been unsuccessful because of the high reactivity and very short lifetimecaused by the strain in this molecule. modeling of molecules for determination of structuralproperties...
tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (hedms). in this work, theoretical studies on the 1htetrazolylderivatives of tetrahedrane were done at the density functional theory (dft) method withthe 6-31g(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...
Polycyclic Aromatic Hydrocarbon (PAH) plays an important role in the formation of combustion-generatedparticles such as soot, and their presence in atmosphere aerosols has been widely shown. The formation of five-membered rings, detected in combustion effluent, is of great interest due to their genotoxic activity.The present study reports an investigation of the electronic structure of Acenapht...
this study purported to compare and contrast the use of self-mention and evidentials as two mtadiscourse features in opinion columns of persian and english newspapers. the theoretical basis of this study is the idea that metadiscourse features vary across cultural boundaries. for this purpose, 150 persian and 150 english opinion columns were collected based on three factors of topic, audience a...
We investigate measures of the clusterability of data sets. Namely, ways to define how ‘strong’ or ‘conclusive’ is the clustering structure of a given data set. We address this issue with generality, aiming for conclusions that apply regardless of any particular clustering algorithm or any specific data generation model. We survey several notions of clusterability that have been discussed in th...
theoretical investigations on the characteristics of the nuclear quadrupole resonance and the influence of the magnetic effect on it have been carried out. the magnetic dipole effect on the quadrupole resonance for the two spins i and i with different values oft) and e has been studied. the energy levels and their transition probabilities are presented with their corresponding spectra. the firs...
چکیده هدف اصلی این پژوهش شناسایی الزامات نظام مدیریت کیفیت فراگیر در حوزه پژوهشی دانشگاه اصفهان بود. سوالهای پژوهش با توجه به مولفه های مدیریت کیفیت (تعهد مدیران، بهبود مستمر فرایندها ، مشتری محوری ، منابع انسانی ، مدیریت اطلاعات ، زیرساختهای کیفیت ، استفاده از نتایج ، انعطاف پذیری، مشارکت در فعالیتهای پژوهشی، ایجاد فرهنگ کیفیت و تناسب ساختارهای سازمانی) که بر اساس مطالعه استانداردهای بین المل...
Four new [NiH2L](ClO4)2 (1), [CuH2L](ClO4)2 (2), [MnH2L](ClO4)2 (3) and [CdH2L](ClO4)2 (4), complexes were prepared by the reaction of a new Schiff base ligand and Cu(II), Ni(II), Mn (II) and Zn (II) metal ions in equemolar ratios. The ligand, H2L was synthesized by reaction of 1, 4- bis (2- formylphenyl) piperazine and ethanol amine and characterized with IR and 1H,13C NMR spectroscopy. All co...
Tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (HEDMs). In this work, theoretical studies on the 1Htetrazolylderivatives of tetrahedrane were done at the density functional theory (DFT) method withthe 6-31G(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...
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