Sökning: "transition-state force field"
Hittade 4 avhandlingar innehållade orden transition-state force field.
1. 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
2. Theoretical Investigations of C–O Activation in Biomass
Sammanfattning : This thesis focuses on using computational chemistry approaches to study how biobased molecules interact with both homo- and heterogeneous catalysts. The reaction mechanisms of such transformations have also been studied. LÄS MER
3. Chiral Lithium N,P-amide Complexes. Synthesis, Applications and Structural Studies by NMR and DFT
Sammanfattning : Enantiospecific synthesis reactions are of intense interest, owing to the increasing request for enantiopure compounds in both research and industry. Lithium amides containing a secondary chelating group are a class of powerful ligands for asymmetric addition reactions. LÄS MER
4. Palladium-catalyzed aromatic coupling and allylic substitution
Sammanfattning : Different types of palladium(II)-catalyzed aromatic couplingreactions have been investigated.The cyclization of diphenyl ether was found to be moresensitive to reaction conditions than was the cyclization ofthe diphenylamine derivatives. LÄS MER