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Showing 1 to 20 of 46 for “"Crystalline solids"”.
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Chemical pressures in crystalline solids
… of the Schrödinger electronic equation in crystalline systems and the chemical bond. The crystal of Cs2UO2Cl4 has been used with the double objective to advance in the understanding of its behavior under hydrostatic pressure solving certain controversies in relation to the rule of Badger …
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The thermoluminescence of organic crystalline solids
257 leaves : ill.
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Stability of Topological States and Crystalline Solids
… matter in both contexts: topological states and crystalline solids. We start with the stability of fractional quantum Hall states on a lattice, known as fractional Chern insulators. We investigate, using exact diagonalization, fractional Chern insulators in higher Chern bands of the …
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Reduced basis method for quantum models of crystalline solids
Electronic structure problems in solids usually involve repetitive determination of quantities of interest, evaluation of which requires the solution of an underlying partial differential equation. We present in this thesis the application of the reduced basis method in accurate and rapid …
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Theory of Electronic Response to Electromagnetic Fields in Crystalline Solids
… a semi-classical theory of such interactions in crystalline materials and introduce microscopic polarization and magnetization fields, and free charge and current densities, from which the macroscopic analogues can be found. We do so by identifying "sites" in an extended system with respect to …
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Elucidating the Electronic Origins of Intermolecular Forces in Crystalline Solids
<p>It is not possible to study almost any physical system without considering intermolecular forces (IMFs), no matter how insignificant they may appear relative to other energetic factors. Countless studies have shown that IMFs are responsible for governing a wide variety of physical properties, …
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High Field DNP NMR probe design and application in crystalline solids
… from DNP to allow further characterization of crystalline solids. Polarization transfer to 1H in LMN doped with 3% Gd through the solid effect at 5 T is observed, and an NMR enhancement of 2.5 is recorded at 85 K. Planned future work on 2H and 15N DNP in LMN, using the MAS DNP NMR probe …
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Electron Hydrodynamics in Crystalline Solids: Microscopic Origins, Mesoscopic Size Effects, and Macroscopic Observables
… hydrodynamic phenomena in three-dimensional crystalline solids is presented. Starting from the smallest length-scales, temperature-dependent electron interactions are predicted from first principles at the Eliashberg level of theory. These suggest the indirect lattice-mediated electron …
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Development and verification of the relationship between atomic vibrational amplitude and thermal expansion of crystalline solids
… square vibrational amplitude of the atoms of a crystalline solid and the thermal expansion of that solid is derived from basic principles, assuming a simple potential energy function between atoms. The functional accuracy of this relationship is proven for several cubic lattice elements and …
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Synthesis, characterisation and reactivity studies of μ(α, ω)-alkanediyl complexes of ruthenium, iron and cobalt
… diiodoalkane. These compounds, which are stable crystalline solids at ambient temperature, have been fully characterised by microanalysis, infrared, ¹H and ¹³C NMR spectroscopy, melting point and mass spectrometry. The new heterodinuclear complex [Cp(CO)₂Fe(CH₂)₄Ru(CO)₂Cp] has been synthesised by …
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Synthesis and Reactivity of Iso- and Hetero-Polyoxotungstates Containing Organic Subunits
… of acids (e.g. HCl), and were isolated as pure crystalline solids. The spectroscopic data is consistent with all these anions being isostructural. The relative thermal stabilities of these compounds in CD$\sb3$CN solution were examined by measuring their $\sp1$H NMR spectra under several …
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Effect of Pressure on Intramolecular Charge-Transfer and Spin-Crossover Materials
… configuration. These materials are studied as crystalline solids, doped into polymers, and in solution. In general there are two aspects we consider: (1) in what way does pressure affect the electronic structure of these two classes of materials and (2) what is the relationship between bulk and …
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Dynamic weakening and trained memory in avalanche dynamics from high-entropy alloys to neurons and spin systems
… in systems ranging from earthquakes and crystalline solids to neuronal networks and spin models. Despite differences in microscopic mechanisms, these systems share universal features such as broad event-size distributions and scale-invariant critical phenomena. A simple depinning theory …
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Structural role of nitrogen in phosphorus oxynitride glasses
… Glasses," published in the Journal of Non-Crystalline Solids in 1986 describes the preparation of oxynitride glass made by melting sodium metaphosphate in anhydrous ammonia gas. Changes in the dissolution rate in water, thermal expansion coefficient, dilatometric softening point and glass …
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Exploring Optoelectronic Properties of Twisted and Intercalated Niobium Oxide Dihalides
2D materials, or layers of one-atom thick crystalline solids, offer a flexible solution for a variety of applications that require certain characteristics. As a result of modifications in physical and chemical design involving 2D materials such as stacking, twisting and ion intercalation, …
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First principles Monte Carlo simulation of charge transport in semiconductors
… for the calculation of spectral functions in crystalline solids.
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Synthesis and reactivity of molybdenum organometallic complexes supported by amide ligands
… synthesized as purple air and moisture sensitive crystalline solids. They may be alkylated by Grignard reagents to yield the monoalkyl complex LMo(Cl)(CH2CMe3), the alkylidyne complex LMo(CCMe3)(CH2CMe3) via a,a - elimination of dihydrogen, and the stable complex LMo(CH2TMS)2 (TMS = SiMe3). …
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