نتایج جستجو برای: quantum theory
تعداد نتایج: 1004040 فیلتر نتایج به سال:
This study seeks to design a new and innovative model for school management using the data foundation method, a model that can be an effective aid in solving the problems and challenges facing school principals by using quantum leadership. Designing a quantum leadership model in secondary schools based on data theory is the main goal of this research and seeks to achieve a suitable model for ov...
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Based on quantum hydrodynamics theory (QHD), the propagation of nonlinear quantum dust-ion acoustic (QDIA) solitary waves in a collision-less, unmagnetized four component quantum plasma consisting of electrons, positrons, ions and stationary negatively charged dust grains with dust charge variation is investigated using reductive perturbation method. The charging current to the dust grains ca...
the influence of cation-π interactions on the strength and nature of intramolecular o...h hydrogen bond has been investigated by quantum chemical calculations in orthohydroxy benzaldehyde (hba) compound. ab initio calculations have been performed at mp2/6-311++g** level of theory. vibrational frequencies and physical properties such as chemical potential and chemical hardness of these compounds...
we present detailed theoretical studies of the h-bonded complexes formed from interaction between 5-fluorouracil and various six-membered cyclic nitrosamine compounds. in this study, an investigation on intermolecular interactions in x-nu (x = ch2, sih2,bh, alh, nh, ph, o and s) complexes is carried out using density functional theory. the calculations are conducted on b3lyp/6-311++g** level ...
the x-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar hansen-coppens formalism refinement through high resolution x-ray diffraction data at 100(1) k. the molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (qtaim) studies. the topological properties of the covalent bonds and of...
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...
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