Sökning: "Sami Dawaigher"

Hittade 1 avhandling innehållade orden Sami Dawaigher.

1. 1. Improving Tröger's Base Chemistry : Developing the Chemistry of Tröger's base

   Författare :Sami Dawaigher; Centrum för analys och syntes; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Tröger’s base; Host Guest Chemistry; Metalation; Computational Chemistry; Supramolecular Chemistry;

   Sammanfattning : The Tröger’s base framework has been implemented in two different receptors. The first of these receptors, incorporating two 18-crown-6 moities, was used as a host in a binding study together with a sieries of bisammonium salts that yielded different binding constants that were then used as a benchmark to compare different computational methods (Molecular Mechanics (MM) and Density Functional Theory (DFT)) in predicting the correct results where the MM methods proved more effective. LÄS MER