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 9 of 9 for “"Triatomic Molecules"”.
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The Born-Oppenheimer Approximation for Triatomic Molecules with Large Angular Momentum in Two Dimensions
… approximation for a symmetric linear triatomic molecule in two space dimensions. We compute energy levels up to errors of order ε⁵, uniformly for three bounded vibrational quantum numbers n₁, n₂, and n₃; and nuclear angular momentum quantum numbers â ≤ kε<sup>-3/4</sup> for k > 0. Here …
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Temperature and High Pressure Light Scattering Studies of Linear Triatomic Molecules in the Liquid State (Reorientation, Dephasing, Collision-Induced)
Light scattering lineshape analysis provides a powerful experimental probe of molecular dynamics in the liquid phase. This thesis consists of temperature and high pressure studies of collision-induced scattering in carbon disulfide and carbonyl sulfide, and reorientational motion and vibrational …
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Rotation-Vibration States of Weakly Bound Linear Symmetric Triatomic Molecules: Helium-Hydride and Helium-Deuteride (Hamiltonian, Variation, Direct Coordinate Transformation)
… states of the linear He(,2)H('+) and He(,2)D('+) molecules are investigated by an ab initio variational approach with the Hamiltonian recently derived by Estes and Secrest through direct coordinate transformation method. Various forms of this Hamiltonian for a linear triatomic molecule are …
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Calculation of thermodynamic properties of gas mixtures at high temperatures
… atoms and atomic ions, diatomic and linear triatomic molecules and ions, and electrons. Quantum statistical mechanics is used to determine thermodynamic properties of each species. For the diatomic species, accurate evaluations of vibrational anharmonicity, vibration-rotation interaction, …
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Fragmentation Studies with Stored Beams of Small Polyatomic Ions
The structure of small molecules, as well as their reactions, is closely related to the fundamental mechanisms governing all chemical reactions. Experimental investigations of molecular fragmentation processes thus yield important data contributing to the detailed understanding of these basic …
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Etude par Spectrométrie de Masse de la formation d'Ions Négatifs par Attachement Electronique Dissociatif et par le processus de Paire d'Ions.
… are measured and assigned in: (i) diatomic molecules, i.e. H2, CO, NO and O2, (ii) triatomic molecules, i.e. CO2 and CS2 along the reaction paths providing O- and S- and CS-. No CO- ion has been detected. (iii) polyatomic molecules, i.e. CH4, C2H2, C2H4, C2H3F and C2H3Cl. Beside the …
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Preparatory work for C 3 line-list calculation
… approach used to study ro-vibrational spectra of triatomic molecules is set out. Preparatory tests and calculations are carried out to allow a theoretical reproduction of C 3 roto vibrational spectrum in the infrared region to be produced. The third part of the thesis expands on the nuclear motion …
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Fundamental Investigations of Hazardous Gas Uptake and Binding in Metal-Organic Frameworks and Polyurethane Films
… of the interactions of three categories of molecules: aromatic hydrocarbons, triatomic ambient gases, and chemical warfare agents, with metal-organic frameworks (MOFs) and polyurethane coatings were conducted to build structure–property relationships for the nature and energetics of gas …
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A single-crystal EPR study of radiation-induced defects in selected silicates
… free radical, which is one of the most studied triatomic molecules and is widely used as spin labels in biophysical and biomedical research, in fluorapophyllite has been observed and characterized by single-crystal EPR spectra. Fourier-transform infrared (FTIR) spectrum supports …