Sökning: "empirical valence bond"
Visar resultat 16 - 19 av 19 avhandlingar innehållade orden empirical valence bond.
16. Structural and Electrical Transport Properties of Doped Nd-123 Superconductors
Sammanfattning : It is generally believed that one of the key parameterscontrolling the normal state and superconducting properties ofhigh temperature superconductors is the charge carrierconcentrationpin the CuO2planes.By changing the non-isovalent dopingconcentration on the RE site as well as the oxygen content in(RE)Ba2Cu3O7−δ, an excellent tool is obtained tovary the hole concentration over a wide range from theunderdoped up to the overdoped regime. LÄS MER
17. Computer Simulation of Protein Tyrosine Phosphatase Reaction Mechanisms and Dihydrofolate Reductase Inhibition
Sammanfattning : Protein tyrosine phosphatases catalyse the hydrolysis of phosphotyrosine residues in proteins, which is an important reaction in the cell signalling system. The three dimensional structure of such a protein tyrosine phosphatase has been used in a computational study of the reaction mechanism at the atomic level. LÄS MER
18. Theoretical Studies on Water Oxidation Catalysts - from Solvent to Interfaces
Sammanfattning : Water splitting contains two half-reactions, the water oxidation reaction and the hydrogen reduction reaction. In water oxidation, protons and electrons will be generated to offer two elemental components for production of fuels, such as H2 and CH3OH. LÄS MER
19. Theoretical Studies on CO2 Reduction Electrocatalysts
Sammanfattning : The atmospheric CO2 concentration has increased by more than 20% since 1980s and has now reached the highest level than at any point in the past 800 000 years. Electrochemical CO2 reductions are receiving particular in- terest as the apparatus are relatively easy to maintain and cheap to operate. LÄS MER