Search for dissertations about: "Theoretical approaches"
Showing result 1 - 5 of 769 swedish dissertations containing the words Theoretical approaches.
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1. Theoretical Studies of Raman Scattering
Abstract : Different theoretical approaches have been presented in this thesis to study the Raman scattering effect. The first one is response theory applied up to third order of polarization, where the determination of α, β and γ is used to calculate linear Raman scattering (resonance Raman scattering (RRS) and normal Raman scattering (NRS)), hyper Raman scattering (HRS) and coherent anti-Stokes Raman scattering (CARS), respectively. READ MORE
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2. Controlled fragmentation and contours in rock blasting : theoretical and technical approaches
Abstract : The Swedish mining and construction industries have a large interest in improving blasting technology, in milling concerning rock fragmentation by blasting (especially underground in large diameter hole blasting, > 100 mm) and in construction and mining concerning controlled and safe contours in blasted tunnels. This doctoral thesis deals with these matters and includes a licentiate thesis (published in 1970) and five papers A-E included in the doctoral thesis and published during 1983 to 1992. READ MORE
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3. New Approaches to Large-Scale Electronic Structure Calculations
Abstract : Recent years have witnessed a growing interest of the scientific community for the use of ab initio and density functional theory methods in theoretical studies of molecules containing many atoms. However, the `scaling wall' of some of the most accurate of such methods is often an obstacle for their applicability to systems of real-life interest, e. READ MORE
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4. Theoretical Studies on Kinetics of Molecular Excited States
Abstract : HTML clipboardKinetics on molecular excited states is a challenging subject in the field of theoretical chemistry. This thesis pays attention to theoretical studies on kinetics of photo-induced processes, including photo-chemical reactions, radiative and non-radiative transitions (intersystem crossing and internal conversion) in molecular and bio-related systems. READ MORE
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5. Theoretical studies of protein-ligand binding
Abstract : Understanding how drugs work is of great importance, since it can facilitate drug discovery, both time- and costwise. At the same time, it is important to have methods that can help predict how well does a potential drug molecule bind to its target. Computational methods can in many ways contribute to drug design process. READ MORE
