Sökning: "Theoretical chemistry"
Visar resultat 11 - 15 av 628 avhandlingar innehållade orden Theoretical chemistry.
11. Reactions of aqueous radiolysis products with oxide surfaces : An experimental and DFT study
Sammanfattning : The reactions between aqueous radiolysis products and oxide surfaces are important in nuclear technology in many ways. In solid-liquid systems, they affect (and at the same time are dependent on) both the solution chemistry and the stability of materials under the influence of ionizing radiation. LÄS MER
12. Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modelling
Sammanfattning : In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. LÄS MER
13. Exploring new protic ionic liquids: From synthesis to fundamental properties
Sammanfattning : The ionic liquid community frequently leverages the selling point that more than a million new ionic liquids could conceivably be created. Nonetheless, the number of commercially available compounds is orders of magnitude lower. LÄS MER
14. Methane oxidation over palladium oxide. From electronic structure to catalytic conversion
Sammanfattning : Understanding how catalysts work down to the atomic level can provide ways to improve chemical processes on which our contemporary economy is heavily reliant. The oxidation of methane is one such example, which is important from an environmental point of view. LÄS MER
15. Theoretical Studies of Cytochrome P450
Sammanfattning : The cytochromes P450 are a large enzyme family that is found in all living organisms and takes part in both endogenous and exogenous metabolism. They are primarily mono-oxygenases and perform a wide range of reactions. LÄS MER
