Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 13 of 13 for “"Electron density distribution"”.
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A study of the promolecule radius of nitrides, oxides and sulfides and of the bond critical point properties of the electron density distribution in nitrides
… cations and atomic radii when bonded to highly electronegative cations. In the second study, molecular orbital calculations were completed on a series of small molecules containing the nitride anion. Bond type can be characterized by studying the systematics of parameters derived from the bond …
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Development and applications of ionospheric tomography
… several tomographic techniques for ionospheric electron density imaging have been proposed. These techniques reconstruct a vertical slice image of electron density using total electron content data. The data are measured between a low orbit beacon satellite and fixed receivers located along the …
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ELECTROSTATIC (LANGMUIR) PROBE MEASUREMENTS IN RF DRIVEN He, N2, BCl3, AND BCl3/N2 PLASMAS
… diagnostic system was developed to measure the electron density distribution in BCl3/N2 mixtures to determine if an average electron energy increase might be partially responsible for the previously observed etch rate enhancement of GaAs with nitrogen addition. The system was validated in both …
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Determining molecular conformation from distance or density data
… protein model from the initial three dimensional electron density distribution (density map) from X-ray crystallography. This problem is computationally challenging because proteins are extremely flexible.
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Model X-ray scattering behaviour of arrays of structured cylinders.
… is considered as the cylinder's structure (electron density distribution) is systematically varied from the case of a solid cylinder to that of a thin shell. A ten stage electron density strip model is shown to be sufficient for this purpose. The effects of packing of the cylinders is …
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Supramolecular organisation, conformation and electronic properties of porphyrin molecules on metal substrates
… influence of the metal center on the porphyrins’ electronic structure was investigated via STS for TPP, TPyP,Fe−TPyP, Fe−TPP, Ce−TPP, and Co−TPP, whereby the inhomogenous electron density distribution associated with individual frontier orbitals were imaged via dI/dV mapping. The symmetry and form …
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S=N versus S+-N-
… compounds in terms of their experimental electron density distribution: Sulfurdiimide S(NtBu)2 (I), sulfurtriimide S(NtBu)3 (II), methyl(diimido)sulfinic acid H(NtBu)2SMe (III) and methylene-bis(triimido)sulfonic acid CH2{S(NtBu)2(HNtBu)}2 (IV). The electron density was determined by …
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Naujų pirimidino - fenoksazino TADF spinduolių sintezė ir tyrimas /
… is achieved by constructing TADF molecules with electron-donating and –accepting fragments, decreasing the spatial overlap of electron density distribution in highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbitals (LUMO). This results in narrowing the singlet-triplet …
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Experimental classification of divertor detachment
… achieved by increasing the main plasma density or by seeding additional impurities, volumetric processes such as charge exchange collisions and recombination become dominant. These processes lead to a strong reduction of the ion flux and plasma pressure in front of the divertor target. …
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Dynamic charge densities of amino acids and proteins
This PhD thesis deals with the notion of dynamic electron density and describes the effect of temperature on the electron density distribution by analyzing both static and dynamic densities of crystals. The dynamic electron densities have been successfully computed by inverse Fourier transform of …
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Experimental charge density studies of highly polar bonds
… this question the experimentally determined electron density was analyzed using Bader’s theory of ‘Atoms in Molecules’ (AIM). This allows a quantitative evaluation of properties derived from the electron density, such as the Laplacian, the ellipticitiy and the ratio of the highest charge …
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A statistical study of plasmawaves and energetic particles in the outer magnetosphere
… three kinds of adiabatic invariants. Energetic electrons are often unstable to the whistler-mode chorus waves, and ions, to the electromagnetic ion cyclotron (EMIC) instability. These waves play an important role in the dynamics of the magnetosphere by energizing electrons to form a radiation …
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The Electronic Structure and Reactivity of Sulfide Surfaces: Combining Atomic-Scale Observations with Theoretical Calculations
The electronic structure of clean pyrite {100} and covellite {001} surfaces have been investigated in ultra-high vacuum (UHV) for the purpose of understanding the nature of sulfide surface reactivity. Using primarily scanning tunneling microscopy and spectroscopy (STM/STS), the electronic structure …