Search for dissertations about: "NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry"
Showing result 21 - 25 of 189 swedish dissertations containing the words NATURAL SCIENCES Chemistry Theoretical chemistry Quantum chemistry.
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21. Matrix Algebra for Quantum Chemistry
Abstract : This thesis concerns methods of reduced complexity for electronic structure calculations. When quantum chemistry methods are applied to large systems, it is important to optimally use computer resources and only store data and perform operations that contribute to the overall accuracy. READ MORE
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22. For a Fistful of Qubits: Computational Quantum Chemistry on Near-Term Quantum Computers
Abstract : Quantum computing has been touted as a great new frontier of computation, pushing the limits of what we consider within reach of computation. While not all problems are expected to be efficiently solved by a quantum computer, quantum chemistry is among those where many have speculated on near-term quantum advantage. READ MORE
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23. Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions
Abstract : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. READ MORE
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24. Theoretical Reflections of Solvation in Polar Media
Abstract : Using experiments it is rather easy to measure things on the macroscopic length scale, while it is much harder to measure something in the microscopic world like molecular structure. The opposite is true in theoretical chemistry. READ MORE
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25. Quantum Chemical Exploration of Nitriles in Prebiotic Chemistry and Astrobiology
Abstract : The Universe hosts countless different chemical environments, such as planets, moons, comets and the interstellar medium. The diverse pressures, temperatures and chemical compositions of these environments make a wide variety of processes possible. READ MORE