نتایج جستجو برای: electronic density distribution
تعداد نتایج: 1173593 فیلتر نتایج به سال:
the analysis of net catches made in absheron gulfs of the caspian sea during 2011-2012 is provided. the ichthyofauna of absheron gulfs, including 26 species found in the north gulf, and 33 species and subspecies found in the south gulf was studied for the first time. a taxonomical and ecological diversity of the fish fauna of north and south absheron gulfs is characterized. the peculiarities of...
We explore explicit electron pair behaviour within the chemical bond (and lone pairs) by calculating the probability distribution for the center-of-mass (extracule) of an electron pair described by single localized orbitals. Using Edmiston-Ruedenberg localized orbitals in a series of 61 chemical systems, we demonstrate the utility of the extracule density as an interpretive tool in chemistry. B...
The electronic properties of YBa2Cu3O7-δ have been investigated by the energy-pseudopotential method within the local density approximation (LDA) with and without including generalized gradient corrections (GGC). The band structure, density of states and charge density of YBa2Cu3O7- have been calculated. The results are compared with other approaches such as LAPW, LCAO and LMTO for this syste...
We use scanning tunneling microscopy and X-ray spectroscopy to characterize the atomic and electronic structure of boron-doped and nitrogen-doped graphene created by chemical vapor deposition on copper substrates. Microscopic measurements show that boron, like nitrogen, incorporates into the carbon lattice primarily in the graphitic form and contributes ~0.5 carriers into the graphene sheet per...
The electronic structure and partial charge of doxorubicin (DOX) in three different molecular environments-isolated, solvated, and intercalated in a DNA complex-are studied by first-principles density functional methods. It is shown that the addition of solvating water molecules to DOX, together with the proximity to and interaction with DNA, has a significant impact on the electronic structure...
Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density distribution n(r), instead of the many-electron wave function Ψ(r1,r2,r3,...). Having been widely used for over 30 years by physicists working on the electronic structure of solids, surfaces, defects, etc., it has more recently also become popular with theoretical and computat...
conclusions it is proposed that the needed research be conducted at national and regional levels in coordination and cooperation with international organizations active in the field of traffic crashes in various parts of the world, especially in asian, african and latin american developing countries, where a greater proportion of pedestrian traffic crashes occur. results a review of the studies...
We inverse the surface gravity data to recover subsurface 3D density distribution with two strategy. In the first strategy, we assumed wide density model bound for inverting gravity data and In the second strategy, the inversion procedure have been carried out by limited bound density. Wediscretize the earth model into rectangular cells of constant andunidentified density. The number of cells i...
Recently electronic tap-changer has received more attention due to its quick response, better performance and simpler maintenance compared to the mechanical tap-changer. This paper presents the capability of the distribution transformer equipped with an electronic tap-changer for improving power quality. At this end, the analytical computation for determining the compensating limit of electroni...
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