Search for dissertations about: "TP-DFT"
Found 2 swedish dissertations containing the word TP-DFT.
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1. Structure and bonding of sulfur-containing molecules and complexes
Abstract : Synchrotron-based spectroscopic techniques enable investigations of the many important biological and environmental functions of the ubiquitous element sulfur. In this thesis the methods for interpreting sulfur K-edge X-ray absorption near edge structure (XANES) spectra are developed and applied for analyses of functional sulfur groups. READ MORE
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2. Structure Modeling with X-ray Absorption and Reverse Monte Carlo: Applications to Water
Abstract : Water is an important substance. It is part of us, of our environment, and is a fundamental prerequisite for the existence of life as we know it. The structure of water is still, after over 100 years of research on the subject, however under debate. READ MORE