نتایج جستجو برای: quantum theory
تعداد نتایج: 1004040 فیلتر نتایج به سال:
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...
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stabilities and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized (8,0) zigzag and (4,4) armchair carbon nanotubes (cnts) complexes in water were studied using density functional theory (dft) calculations. two attachments namely the sidewall- and tip-attachments are considered for the model constructions. calculations of the total electronic energy (et) and ...
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...
It has been known since the earliest days of quantum field theory (QFT) that infrared divergences arise in scattering with massless fields. These are manifestations memory effect: At order $1/r$ a generically will not return to same value at late retarded times ($u\ensuremath{\rightarrow}+\ensuremath{\infty}$) as it had early ($u\ensuremath{\rightarrow}\ensuremath{-}\ensuremath{\infty}$). There...
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چکیده ندارد.
Electronic properties for bcc Fe and hcp Co in bulk state and also Fe-Co alloy were calculated by quantum calculation based on density functional theory and pseudopotential method. Combination of Wannier function and Berry phase theory was used for calculation of anomalous Hall conductivity in above structures. It was seen that split of band by the spin orbit interaction, lying on the Fermi le...
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