Search for dissertations about: "charges"
Showing result 1 - 5 of 295 swedish dissertations containing the word charges.
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1. Protein folding without loops and charges
Abstract : Going down the folding funnel, proteins may sample a wide variety of conformations, some being outright detrimental to the organism. Yet, the vast majority of polypeptide molecules avoid such pitfalls. Not only do they reach the native minimum of the energy landscape; they do so via blazingly fast, biased, routes. READ MORE
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2. Tailing Charges on New Paths : Ultrafast intramolecular charge transfer in chromophores
Abstract : By tailing charges on their paths within a molecule, one can gain fundamental knowledge of their inherent reactivity. The charges, originally residing in their lowest energy configuration, can upon light absorption move across the system, or transfer in between them. READ MORE
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3. Effective Charges Near 56Ni and Production of Anti-Nuclei Studied with Heavy-Ion Reactions
Abstract : This thesis presents the research performed within two different research groups using heavy-ion induced nuclear reactions. They offer the opportunity to investigate different properties of nuclear matter. The results are based on measurements using a variety of different experimental techniques. READ MORE
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4. Theoretical studies of porphyrin proteins
Abstract : Different aspects of porphyrin proteins have been studied with theoretical methods. For example, we have studied: - The importance of hydrogen bonds for the discrimination between carbon monoxide and molecular oxygen by myoglobin, the oxygen carrier in muscles, modelling the active site both in vacuum and in the protein matrix - The inner-sphere reorganisation energy during electron transfer for cytochromes compared to other electron-transfer proteins, such as blue copper proteins and Fe-S clusters - The role of porphyrin distortions in the reaction mechanism of ferrochelatase, the enzyme that inserts an iron ion into protoporphyrin IX to make haem - The interaction between different metal sites in ferrochelatase In these studies we have used density functional theory, classical force field methods, and a combination of quantum chemistry and molecular mechanics. READ MORE
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5. Nitro compounds for use in explosive charges
Abstract : This first part of this thesis describes synthesis of and characterisation of energetic plasticisers. The general concepts and requirements of energetic plasticisers are introduced. The remainder of this part further describes the work published in three publications. READ MORE
