Search for dissertations about: "density funtional theory"

Found 1 swedish dissertation containing the words density funtional theory.

2. 1. MECHANISTIC INVESTIGATIONS OF TRANSITION METAL CATALYZED REACTIONS

   Author : Jonatan Kleimark; Göteborgs universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; alkene insertion; allylic alkylation; catalysis; cross coupling; density funtional theory; free energy surface; iron; kinetic investigation; Mizoroki-Heck reaction; nickel; palladium; reaction mechanism; sulfinylation; transition metal;

   Abstract : Transition metal catalyzed reactions have had a large impact on the human progress for the last century. Several extremely important areas, such as the agricultural industry and the plastic industry, have benefited from this development. READ MORE